{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.46856e-10 0.0 0.0 ] "source-value" [ 5.46856 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.09414e-11 5.47364e-10 0.0 ] "source-value" [ 0.109414 5.47364 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 8.53482e-12 1.88746e-11 5.50226e-10 ] "source-value" [ 0.0853482 0.188746 5.50226 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -1.497472936671761e-09 -1.271311447273916e-09 -4.17697538755271e-10 ] [ -2.495338817244134e-10 -2.520376031297376e-10 2.391890598715955e-09 ] [ 1.624568961687625e-09 -7.111980308723539e-10 -2.550314303633645e-10 ] [ -1.362818002576625e-09 1.368725067559853e-10 -1.05938385519292e-09 ] [ -2.270849840020743e-10 -2.889648903212602e-10 -2.036199378015251e-09 ] [ 4.025837260382785e-10 7.81293578467678e-10 8.859049772225589e-10 ] [ 6.341783565749185e-11 -1.453790552411622e-09 -1.439229971281791e-09 ] [ 1.246339441809141e-09 3.059136599002888e-09 1.929746597670085e-09 ] ] "source-value" [ [ -0.9346491 -0.7934902 -0.2607063 ] [ -0.1557468 -0.1573095 1.4929007 ] [ 1.0139762 -0.4438949 -0.1591781 ] [ -0.8506041 0.0854291 -0.6612154 ] [ -0.1417353 -0.1803577 -1.2708957 ] [ 0.251273 0.4876451 0.5529384 ] [ 0.0395823 -0.9073847 -0.8982967 ] [ 0.7779039 1.9093629 1.2044531 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.11998e-11 5.98912e-13 -1.42628e-11 ] [ 1.42992e-10 1.39997e-10 1.14788e-10 ] [ 3.44059e-12 2.83471e-10 2.60329e-10 ] [ 1.5648e-10 4.17845e-10 4.01026e-10 ] [ 2.81953e-10 7.576710000000001e-13 2.62729e-10 ] [ 4.17997e-10 1.38562e-10 3.91338e-10 ] [ 2.81257e-10 2.67111e-10 -1.66315e-11 ] [ 4.15871e-10 3.96748e-10 1.06238e-10 ] ] "source-value" [ [ 0.111998 0.00598912 -0.142628 ] [ 1.42992 1.39997 1.14788 ] [ 0.0344059 2.83471 2.60329 ] [ 1.5648 4.17845 4.01026 ] [ 2.81953 0.00757671 2.62729 ] [ 4.17997 1.38562 3.91338 ] [ 2.81257 2.67111 -0.166315 ] [ 4.15871 3.96748 1.06238 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.833594931233467e-18 "source-value" -36.410436 } }