{ "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" [ [ 0.1582503 -0.2958767 2.6947448 ] [ -0.7321391 1.6404788 -2.1975083 ] [ -0.6087324 -0.2570504 -0.6798098 ] [ 1.1568309 0.051136 0.8271283 ] [ 1.7528161 -1.470004 0.6704937 ] [ -0.7964213 1.5234893 -1.0596358 ] [ -2.2181769 -2.7408155 -1.7834394 ] [ 1.2875724 1.5486425 1.5280266 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.535449308945863e-10 -4.740467313794553e-10 4.317457117582372e-09 ] [ -1.173016149193553e-09 2.628336780278039e-09 -3.520796422273952e-09 ] [ -9.752968196034738e-10 -4.118401412472883e-10 -1.089175368150724e-09 ] [ 1.853447422199023e-09 8.19289036812288e-11 1.325205624662049e-09 ] [ 2.808320975981835e-09 -2.355206041282483e-09 1.074249330533689e-09 ] [ -1.276007587167143e-09 2.440898938498957e-09 -1.697723705322705e-09 ] [ -3.553911169978619e-09 -4.391270516026263e-09 -2.857384911293579e-09 ] [ 2.062918396867346e-09 2.481198807477264e-09 2.448168494480513e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.140586 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.790360195121179e-18 } }