{ "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" [ 10.7144 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.09399 9.66634 0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0584924 -0.0611089 10.7553 ] } "unrelaxed-configuration-positions" { "source-unit" "angstrom" "source-value" [ [ 0.0138471 0.0272297 -0.18026 ] [ -0.063454 -0.0500934 2.8757 ] [ -0.117743 -0.153794 5.34906 ] [ -0.308272 -0.00940109 7.68584 ] [ -1.46082 2.17322 0.154735 ] [ -1.43053 2.252 2.93725 ] [ -1.52004 2.12235 5.70391 ] [ -1.38217 2.45391 7.73711 ] [ -2.32386 4.34974 -0.0341353 ] [ -2.14732 4.59913 2.85456 ] [ -2.58803 4.49203 5.22398 ] [ -2.53205 4.45019 7.97976 ] [ -3.63337 7.17929 -0.0491028 ] [ -3.89229 6.71793 2.89818 ] [ -3.66413 7.02015 5.09652 ] [ -3.92788 6.93366 8.0512 ] [ 2.45378 0.309373 0.291799 ] [ 2.63293 -0.0916649 2.38171 ] [ 2.30296 -0.201703 4.97556 ] [ 2.76192 -0.281406 7.62532 ] [ 1.31779 2.17407 -0.230385 ] [ 1.52587 2.23453 2.90133 ] [ 1.2551 2.11078 5.57886 ] [ 1.54308 1.87063 7.88471 ] [ -0.135475 4.44987 0.253366 ] [ 0.206692 4.4119 2.48107 ] [ 0.0396793 4.80924 5.07207 ] [ -0.0230702 4.46471 7.99008 ] [ -1.22343 6.87043 0.107938 ] [ -1.45159 6.56532 2.67083 ] [ -1.48914 6.71211 5.58461 ] [ -1.31259 6.65303 7.82887 ] [ 5.36229 -0.201486 0.0779356 ] [ 5.08432 0.160103 3.04183 ] [ 5.04314 -0.419791 4.93253 ] [ 4.97733 -0.124917 7.93817 ] [ 4.07742 2.32906 0.253204 ] [ 3.79674 2.43742 2.78537 ] [ 3.81248 2.52072 5.25869 ] [ 4.0443 1.91504 8.20099 ] [ 2.79101 4.60985 -0.00391354 ] [ 2.79476 4.43142 3.20273 ] [ 2.32095 4.60023 5.44999 ] [ 2.43436 4.156 8.02437 ] [ 1.10367 7.03267 0.475772 ] [ 1.43412 6.61174 2.58351 ] [ 1.56081 6.78949 5.83699 ] [ 1.26983 6.69138 7.94657 ] [ 8.13694 -0.084966 0.0329206 ] [ 7.94829 0.166431 2.88626 ] [ 8.08334 -0.175614 5.07998 ] [ 8.05071 -0.0461084 7.69847 ] [ 6.29462 2.13237 0.227677 ] [ 6.59496 2.14714 2.68125 ] [ 6.5796 2.22172 4.97661 ] [ 6.61546 2.04155 7.94854 ] [ 5.60831 4.89949 0.273056 ] [ 5.31426 4.44385 2.78226 ] [ 5.2365 4.38736 5.62938 ] [ 5.34171 4.237 7.77426 ] [ 3.76471 6.57935 0.297265 ] [ 3.95924 6.9387 3.15334 ] [ 3.93889 6.54727 5.0212 ] [ 3.94816 6.64802 7.82443 ] ] } "unrelaxed-configuration-forces" { "source-unit" "eV/angstrom" "source-value" [ [ -0.344127 -0.753207 -0.260255 ] [ -0.128772 -0.051229 -0.502315 ] [ -0.278525 -0.198397 -0.529123 ] [ 0.818103 -0.29088 1.597745 ] [ 0.393644 -0.775695 0.408458 ] [ 0.366511 -0.27681 -0.586579 ] [ -0.150036 -0.553402 -5.298198 ] [ 0.560229 -0.703779 4.423663 ] [ -2.812163 0.701358 -0.826436 ] [ -2.556768 -3.302236 0.017834 ] [ -0.549048 -0.543004 0.408965 ] [ -1.506869 0.986503 0.713815 ] [ -0.661693 0.054142 -0.322012 ] [ -0.915659 -0.163925 -1.954881 ] [ -1.394647 0.552854 1.763057 ] [ -0.069758 0.282353 0.228391 ] [ 1.161439 -1.122516 -2.702338 ] [ 0.13954 -0.710031 3.526196 ] [ 0.926617 -0.166671 0.618078 ] [ -1.779326 -0.60945 -0.561257 ] [ -1.218622 1.609801 -0.569038 ] [ -2.022352 -0.394114 0.267808 ] [ -0.193281 0.12413 -1.623171 ] [ -0.537528 -0.40226 1.349511 ] [ 2.616789 0.231712 -1.810491 ] [ 1.048365 -0.216002 1.850984 ] [ -0.962683 -0.3109 0.147518 ] [ 0.355966 0.158418 0.110251 ] [ -0.667805 -0.086481 0.081228 ] [ 1.73842 4.120389 -0.710134 ] [ 1.785973 0.615274 -1.383942 ] [ 0.138511 0.397805 1.869098 ] [ -0.041247 -0.48864 -0.342427 ] [ 0.110818 1.673606 -6.913393 ] [ -0.14233 -2.281784 7.105679 ] [ 2.384346 -1.4793 0.417547 ] [ -2.002359 0.668791 -0.562713 ] [ 1.7793 -1.675795 -0.619304 ] [ 0.074624 -0.900081 0.280678 ] [ -0.447915 1.934827 0.407627 ] [ -0.848101 -2.252356 -1.002893 ] [ -0.562862 1.865594 -1.016775 ] [ 1.073021 -1.15809 1.07574 ] [ 0.628173 0.898762 0.64606 ] [ 0.494928 0.745814 -2.742132 ] [ 0.343433 -0.236861 2.582608 ] [ 0.063226 1.531873 -3.365787 ] [ -0.069312 0.319763 3.260453 ] [ -0.272219 -0.106755 0.102998 ] [ 0.378378 -0.93513 -2.437312 ] [ -0.306591 -0.221488 2.436312 ] [ -0.809882 -0.390116 0.290073 ] [ 2.211764 0.027407 -0.649637 ] [ -0.186282 0.550121 -0.982883 ] [ 0.048854 -0.091257 1.888688 ] [ 0.260262 -0.150202 0.186224 ] [ 0.270177 -0.195881 0.182148 ] [ 0.657582 0.86702 -0.420053 ] [ 0.491239 0.889197 -3.135887 ] [ 0.190368 0.211853 3.036721 ] [ 0.556184 1.855332 0.147354 ] [ 0.086685 1.98875 -9.711445 ] [ 0.165193 -1.70615 10.070605 ] [ 0.120102 0.03743 0.042696 ] ] } "unrelaxed-potential-energy" { "source-unit" "eV" "source-value" -247.470023 } }