{ "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" [ 5.36644 0 0 ] "si-unit" "m" "si-value" [ 5.366440000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.227231 5.37948 0 ] "si-unit" "m" "si-value" [ -2.27231e-11 5.379480000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0350261 -0.0899265 5.39939 ] "si-unit" "m" "si-value" [ -3.50261e-12 -8.992650000000001e-12 5.399390000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00104229 0.0077963 0.00224549 ] [ 1.32493 1.37357 1.36608 ] [ -0.0958533 2.66355 2.80902 ] [ 1.19786 4.07015 4.22336 ] [ 2.70129 0.113781 2.60003 ] [ 3.9906 1.45175 3.98519 ] [ 2.48193 2.86985 0.00162227 ] [ 4.00824 4.16333 1.43322 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.04229e-13 7.7963e-13 2.24549e-13 ] [ 1.32493e-10 1.37357e-10 1.36608e-10 ] [ -9.58533e-12 2.66355e-10 2.80902e-10 ] [ 1.19786e-10 4.07015e-10 4.22336e-10 ] [ 2.70129e-10 1.13781e-11 2.60003e-10 ] [ 3.9906e-10 1.45175e-10 3.98519e-10 ] [ 2.48193e-10 2.86985e-10 1.62227e-13 ] [ 4.00824e-10 4.16333e-10 1.43322e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2472573 2.4339025 -0.6730841 ] [ -1.0904874 1.0082074 -0.3651623 ] [ 2.1005823 2.3429716 -2.2479963 ] [ -0.6995289 1.0860916 -3.2846414 ] [ 0.2718757 -1.3366155 1.7148467 ] [ -1.9629769 -2.0279439 2.9079718 ] [ 3.0156274 -1.7143214 1.4787042 ] [ -1.8823495 -1.7922923 0.4693614 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.961498686459281e-10 3.899541714934184e-09 -1.078399617736919e-09 ] [ -1.747153431951411e-09 1.615326338505891e-09 -5.850545046776981e-10 ] [ 3.365503878853978e-09 3.753854351645594e-09 -3.601687145178454e-09 ] [ -1.120768858387722e-09 1.740110583903674e-09 -5.262575702149047e-09 ] [ 4.355928938923937e-10 -2.141494122742227e-09 2.747487313632008e-09 ] [ -3.145035722261754e-09 -3.249124331642832e-09 4.659084470290921e-09 ] [ 4.831567757130171e-09 -2.746645690246167e-09 2.369145317837662e-09 ] [ -3.015856385921582e-09 -2.871568844358118e-09 7.519998679815275e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.63539 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.709418920147726e-18 } }