{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 10.411 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.29438 9.21066 0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.225117 -0.0675308 10.2123 ] } "unrelaxed-configuration-positions" { "source-unit" "angstrom" "source-value" [ [ 0.032644 -0.348865 0.262117 ] [ 0.0895591 0.0919407 2.92005 ] [ 0.132511 0.0877004 5.1977 ] [ -0.387306 -0.579647 7.71063 ] [ -1.39484 2.2423 0.430563 ] [ -1.46759 1.95149 2.37315 ] [ -1.49513 2.24499 4.89593 ] [ -1.51482 2.26793 7.74871 ] [ -2.60635 4.58616 0.485327 ] [ -2.69256 4.48069 2.67269 ] [ -2.72927 4.56722 5.31696 ] [ -2.89421 4.44106 7.87764 ] [ -3.94579 6.84436 0.0641042 ] [ -4.08301 6.85325 2.63122 ] [ -4.51897 6.91495 5.13935 ] [ -4.09555 6.92809 7.99318 ] [ 2.65588 0.0182102 0.184703 ] [ 2.65332 -0.273709 2.75315 ] [ 2.59953 -0.270718 5.54693 ] [ 2.14279 0.0901647 8.06584 ] [ 1.3739 2.00123 0.0421206 ] [ 1.57539 2.15566 2.62554 ] [ 1.1634 2.17468 5.30039 ] [ 1.01377 2.05654 7.47411 ] [ -0.0124658 4.65353 0.0422212 ] [ -0.2125 4.23955 2.95357 ] [ -0.0815717 4.0382 5.32116 ] [ -0.254481 4.43847 7.97266 ] [ -1.57641 7.03783 -0.081675 ] [ -1.42092 6.46247 2.79682 ] [ -1.49707 6.77968 5.43924 ] [ -1.36691 6.61651 7.63316 ] [ 5.18815 -0.0976661 -0.221188 ] [ 5.00848 -0.0939251 2.4953 ] [ 5.07255 -0.0605492 5.51938 ] [ 4.96358 -0.266651 7.69705 ] [ 3.99473 2.38395 0.117111 ] [ 3.87483 2.26191 2.78385 ] [ 3.90332 2.16788 5.36154 ] [ 3.42601 2.22366 8.16952 ] [ 2.44878 4.51192 0.300057 ] [ 2.35265 4.71794 3.08973 ] [ 2.45121 4.56732 5.75721 ] [ 2.47528 4.47056 7.94989 ] [ 1.35813 6.92705 0.690128 ] [ 1.30729 6.80619 2.84456 ] [ 1.15128 6.72026 5.06169 ] [ 1.06069 6.72297 8.10403 ] [ 7.98813 0.0646273 0.348553 ] [ 7.81184 -0.0381409 2.73794 ] [ 7.91579 -0.345681 5.60963 ] [ 7.67692 -0.122649 8.16693 ] [ 6.65958 2.51772 0.112505 ] [ 6.53716 2.24303 2.45744 ] [ 6.69999 2.26023 5.12355 ] [ 6.34109 2.14616 8.04966 ] [ 5.26606 4.55868 0.309546 ] [ 5.14345 4.38936 2.56679 ] [ 5.15982 4.46608 5.65685 ] [ 5.17008 4.33331 8.20244 ] [ 3.93881 6.94156 0.784897 ] [ 3.73503 7.06085 3.16928 ] [ 3.88909 6.7996 5.18682 ] [ 3.70294 6.72284 8.16498 ] ] } "unrelaxed-configuration-forces" { "source-unit" "eV/angstrom" "source-value" [ [ 0.338574 1.414868 -0.239356 ] [ 0.082945 -0.33431 -1.761182 ] [ -0.993904 -0.367996 1.474259 ] [ 0.748344 2.652572 -0.338561 ] [ 1.7504 1.410337 -7.660046 ] [ 1.021127 0.293035 7.416152 ] [ 0.96154 -0.964161 0.506279 ] [ -0.139438 -0.400163 0.067899 ] [ 0.832759 0.728832 -2.674279 ] [ -0.704609 -0.192191 2.492695 ] [ -0.08759 0.268056 0.161661 ] [ 0.897788 0.260257 -0.317279 ] [ -0.162141 -0.509834 1.492365 ] [ 0.332127 -0.183599 0.500071 ] [ 6.583814 -0.367932 0.124768 ] [ 0.703631 -1.006128 -1.490508 ] [ 0.332141 -0.164691 1.012626 ] [ -0.386311 -0.004959 0.241804 ] [ -0.213046 -0.018557 -0.311403 ] [ 0.525779 -0.865664 -1.253206 ] [ -0.784583 1.072916 0.532031 ] [ -1.116377 0.1821 -0.186142 ] [ 2.021928 -0.419042 -2.353699 ] [ -0.693147 0.418194 2.959489 ] [ -0.247654 0.098945 1.483345 ] [ 0.544549 -0.028081 -0.705594 ] [ -0.597826 2.446634 0.62525 ] [ 0.298229 -0.058924 -1.141923 ] [ 1.227604 -0.832444 0.380768 ] [ 0.436858 1.339113 0.204458 ] [ 0.149826 -0.006413 -2.697671 ] [ -0.530915 -0.207824 2.32166 ] [ 0.245084 0.071444 2.141044 ] [ 0.84888 0.262749 0.110574 ] [ 0.844904 0.340792 -2.626079 ] [ 0.178688 0.10827 1.401519 ] [ 0.069523 -0.436659 2.407474 ] [ 1.018807 -0.218614 0.359525 ] [ -0.31467 0.153337 -0.201832 ] [ 0.834093 0.044182 -2.624422 ] [ 0.225208 -0.087549 0.389652 ] [ 0.781845 -1.162943 -0.438022 ] [ 0.252957 0.646852 -3.236239 ] [ -0.390146 0.156467 2.203905 ] [ -0.163002 -0.071824 -3.907344 ] [ -1.230658 0.508945 0.799645 ] [ -0.712928 0.189497 2.660742 ] [ 0.716539 0.407403 0.187317 ] [ -0.741734 -0.582882 -0.260996 ] [ -1.077895 -0.929477 0.926878 ] [ -0.552827 0.469559 -0.262259 ] [ -0.484366 -0.006705 -0.906456 ] [ -0.764641 -1.063606 0.134625 ] [ -0.861407 -0.540041 1.602754 ] [ -2.230037 -0.450371 0.164991 ] [ -0.129156 -0.639466 -1.41627 ] [ -0.647491 0.820768 -0.415371 ] [ -0.437324 0.371833 1.768879 ] [ -0.103811 -0.307955 -0.197261 ] [ -0.949247 0.515178 -1.586763 ] [ -0.920964 -1.290767 -1.106715 ] [ 0.104609 0.308991 -5.011801 ] [ -5.429584 -1.442584 5.494213 ] [ -1.111667 -1.797771 0.57736 ] ] } "unrelaxed-potential-energy" { "source-unit" "eV" "source-value" -255.115824 } }