{ "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" [ 5.45158 0 0 ] "si-unit" "m" "si-value" [ 5.45158e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0257054 5.42445 0 ] "si-unit" "m" "si-value" [ -2.57054e-12 5.424450000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0529382 0.0294769 5.34001 ] "si-unit" "m" "si-value" [ -5.29382e-12 2.94769e-12 5.34001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0143981 -0.000418648 -0.00412545 ] [ 1.32176 1.3194 1.55836 ] [ -0.0742391 2.6807 2.85755 ] [ 1.24493 4.07168 4.08922 ] [ 2.604 0.0471177 2.81384 ] [ 3.98318 1.33506 4.22092 ] [ 2.76065 2.8474 0.244257 ] [ 4.05568 4.10688 1.45974 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43981e-12 -4.18648e-14 -4.12545e-13 ] [ 1.32176e-10 1.3194e-10 1.55836e-10 ] [ -7.42391e-12 2.6807e-10 2.85755e-10 ] [ 1.24493e-10 4.07168e-10 4.08922e-10 ] [ 2.604e-10 4.71177e-12 2.81384e-10 ] [ 3.98318e-10 1.33506e-10 4.22092e-10 ] [ 2.76065e-10 2.8474e-10 2.44257e-11 ] [ 4.05568e-10 4.10688e-10 1.45974e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.190727 -0.2150355 1.839887 ] [ -0.560911 1.3208852 -1.8096582 ] [ -0.6603563 -0.2952193 -0.4613373 ] [ 0.9136171 -0.3160661 0.4887044 ] [ 1.3575251 -1.0029905 0.4317101 ] [ -0.7206612 1.2605403 -0.4587191 ] [ -1.6278027 -1.9658505 -1.1223261 ] [ 1.1078618 1.2137364 1.0917393 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.055783403553216e-10 -3.445248507420384e-10 2.94782393631385e-09 ] [ -8.98678490549549e-10 2.116291386200732e-09 -2.899392059679011e-09 ] [ -1.058007425257991e-09 -4.729934604689415e-10 -7.391438363629959e-10 ] [ 1.463775957983096e-09 -5.06393716047435e-10 7.829907641620915e-10 ] [ 2.174994977369182e-09 -1.606967929984502e-09 6.9167582918323e-10 ] [ -1.154626526157673e-09 2.019608198236218e-09 -7.349490175344173e-10 ] [ -2.608027429215116e-09 -3.14963971108799e-09 -1.798164638333643e-09 ] [ 1.774990275037405e-09 1.944620083893957e-09 1.749159182468557e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.474381038775913 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.799704476327759e-18 } }