{ "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" [ 5.42981 0 0 ] "si-unit" "m" "si-value" [ 5.42981e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0370196 5.47054 0 ] "si-unit" "m" "si-value" [ 3.70196e-12 5.47054e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0339139 -0.0143321 5.52419 ] "si-unit" "m" "si-value" [ -3.39139e-12 -1.43321e-12 5.52419e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0865271 0.0202603 -0.0485063 ] [ 1.27669 1.31148 1.22292 ] [ -0.0137625 2.6467 2.79128 ] [ 1.29807 4.01993 4.311 ] [ 2.70854 -0.0697941 2.82717 ] [ 4.06866 1.27154 4.01384 ] [ 2.71531 2.7055 0.0603487 ] [ 4.06455 4.01651 1.33765 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.65271e-12 2.02603e-12 -4.850630000000001e-12 ] [ 1.27669e-10 1.31148e-10 1.22292e-10 ] [ -1.37625e-12 2.6467e-10 2.79128e-10 ] [ 1.29807e-10 4.019929999999999e-10 4.311e-10 ] [ 2.70854e-10 -6.97941e-12 2.82717e-10 ] [ 4.06866e-10 1.27154e-10 4.01384e-10 ] [ 2.71531e-10 2.7055e-10 6.03487e-12 ] [ 4.06455e-10 4.016510000000001e-10 1.33765e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.4971383 -0.9230084 -0.1843781 ] [ 1.4113297 0.7589059 2.6189396 ] [ 0.464945 0.5665703 -0.7641039 ] [ 0.8096047 -0.3130325 -1.9539379 ] [ -1.2437042 -0.6828065 -1.2225341 ] [ -0.1236729 0.5815606 1.7470341 ] [ 0.3427486 -0.8959992 -1.015466 ] [ 0.8358873 0.9078098 0.7744462 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.000856603164257e-09 -1.478822479282015e-09 -2.954062812075245e-10 ] [ 2.261199449580678e-09 1.215901290367183e-09 4.196003798407304e-09 ] [ 7.44924008957856e-10 9.077456886996422e-10 -1.224229404442101e-09 ] [ 1.297129722429798e-09 -5.01533353050576e-10 -3.130553621875048e-09 ] [ -1.992633792430768e-09 -1.093976610830275e-09 -1.958715553150769e-09 ] [ -1.981458290065364e-10 9.317627968984205e-10 2.79905719076037e-09 ] [ 5.49143793731931e-10 -1.435548970495503e-09 -1.626955884417293e-09 ] [ 1.339239089683636e-09 1.454471637693124e-09 1.240799595707401e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.17012424065424 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.750957163460758e-18 } }