{ "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" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.39006 0 0 ] "si-unit" "m" "si-value" [ 5.39006e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.23331 5.36322 0 ] "si-unit" "m" "si-value" [ 2.3331e-11 5.36322e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.160148 -0.0213292 5.4933 ] "si-unit" "m" "si-value" [ -1.60148e-11 -2.13292e-12 5.4933e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.105355 0.0424721 -0.0304949 ] [ 1.33629 1.36991 1.45967 ] [ -0.05353 2.71357 2.83859 ] [ 1.26119 4.17265 4.20892 ] [ 2.69817 -0.0783338 2.63037 ] [ 3.99124 1.24872 4.05842 ] [ 2.76699 2.61469 0.0747626 ] [ 4.02836 3.96527 1.47431 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.05355e-11 4.24721e-12 -3.04949e-12 ] [ 1.33629e-10 1.36991e-10 1.45967e-10 ] [ -5.353e-12 2.71357e-10 2.83859e-10 ] [ 1.26119e-10 4.17265e-10 4.20892e-10 ] [ 2.69817e-10 -7.83338e-12 2.63037e-10 ] [ 3.99124e-10 1.24872e-10 4.05842e-10 ] [ 2.76699e-10 2.61469e-10 7.47626e-12 ] [ 4.02836e-10 3.96527e-10 1.47431e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.9031585 2.6266818 4.6620617 ] [ -0.3233674 0.3357052 -0.4693197 ] [ 0.7423528 -0.2188367 0.4889028 ] [ 4.3277183 -4.1881305 -4.0156631 ] [ -3.4117561 2.5683228 3.8500118 ] [ -0.4844467 0.6821981 0.5606541 ] [ -0.2801037 0.1867752 -1.0144056 ] [ 3.3327614 -1.992716 -4.0622422 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.253549347498489e-09 4.208408204913061e-09 7.469446322006317e-09 ] [ -5.180916924773316e-10 5.378590273522967e-10 -7.519330572158898e-10 ] [ 1.189380310344475e-09 -3.506150474016678e-10 7.833086424571752e-10 ] [ 6.933769138794201e-09 -6.710124827242735e-09 -6.433801588836005e-09 ] [ -5.466235904326966e-09 4.114906778729454e-09 6.16839894658428e-09 ] [ -7.761691831584077e-10 1.093001855579195e-09 8.982668987762994e-10 ] [ -4.487756032369458e-10 2.992468612506768e-10 -1.62525694971875e-09 ] [ 5.339672441777127e-09 -3.192683013397944e-09 -6.508429534488755e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.15921 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.633126473189914e-18 } }