{ "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" [ 5.44141 0 0 ] "si-unit" "m" "si-value" [ 5.441410000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0387259 5.36248 0 ] "si-unit" "m" "si-value" [ 3.87259e-12 5.36248e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.184794 -0.00314768 5.51994 ] "si-unit" "m" "si-value" [ -1.84794e-11 -3.14768e-13 5.51994e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.139299 -0.0133288 0.0135909 ] [ 1.42253 1.35934 1.29237 ] [ 0.0199653 2.64656 2.62294 ] [ 1.43068 4.14401 3.95964 ] [ 2.73386 -0.0804287 2.7169 ] [ 4.04879 1.39288 4.20461 ] [ 2.82765 2.77065 0.103593 ] [ 4.1636 4.04392 1.34337 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.39299e-11 -1.33288e-12 1.35909e-12 ] [ 1.42253e-10 1.35934e-10 1.29237e-10 ] [ 1.99653e-12 2.64656e-10 2.62294e-10 ] [ 1.43068e-10 4.14401e-10 3.95964e-10 ] [ 2.73386e-10 -8.042870000000001e-12 2.7169e-10 ] [ 4.04879e-10 1.39288e-10 4.20461e-10 ] [ 2.827650000000001e-10 2.77065e-10 1.03593e-11 ] [ 4.1636e-10 4.04392e-10 1.34337e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.1970156 0.2917114 -0.6792931999999999 ] [ -0.4028232 -1.1212898 0.10042049999999998 ] [ 0.4058358 -0.0477758 1.4793824999999998 ] [ -2.4481115 -2.0463453 2.2986582999999996 ] [ 1.5002659 2.5625458 -0.9809594999999999 ] [ -1.2132172 1.1325765 -1.5078900999999998 ] [ -0.7662299 -0.5738911 -2.2721098999999993 ] [ -0.2727355 -0.1975316 1.5617913999999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.12218369285349e-09 4.673731889514276e-10 -1.088347692675089e-09 ] [ -6.453939186731087e-10 -1.796504317502533e-09 1.60891378674597e-10 ] [ 6.502206360006971e-10 -7.654527043065718e-11 2.370232074248504e-09 ] [ -3.92230704272669e-09 -3.27860662475572e-09 3.682856617810161e-09 ] [ 2.40369096976698e-09 4.105651004314836e-09 -1.571670389800323e-09 ] [ -1.943788249806905e-09 1.814587604517501e-09 -2.415906284859923e-09 ] [ -1.227635642052156e-09 -9.194749108805572e-10 -3.640321391660075e-09 ] [ -4.36970445362307e-10 -3.164805139966344e-10 2.502265688262147e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.804734 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.736550820138536e-18 } }