{ "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" [ [ 0.0200429 -0.1924244 2.0788298 ] [ -0.3549086 1.2869735 -1.7770894 ] [ -0.6000778 -0.1601772 -0.5119918 ] [ 0.9131885 -0.1095065 0.6275118 ] [ 1.3296216 -1.0114511 0.2735355 ] [ -0.506581 1.2653004 -0.5740053 ] [ -1.5981834 -2.1058932 -1.0658486 ] [ 0.7968979 1.0271785 0.949058 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.21122660575986e-11 -3.082978774914696e-10 3.330652531622893e-09 ] [ -5.686262661256523e-10 2.061958870277198e-09 -2.847211113209079e-09 ] [ -9.614306297421252e-10 -2.566321671395447e-10 -8.203012987596012e-10 ] [ 1.463089277137509e-09 -1.75448755571121e-10 1.005384743519281e-09 ] [ 2.130288659581694e-09 -1.620523318853597e-09 4.382521866695069e-10 ] [ -8.116322414283538e-10 2.027234735870854e-09 -9.196578794521601e-10 ] [ -2.560572100326675e-09 -3.374012878739488e-09 -1.707677722301612e-09 ] [ 1.276771195063668e-09 1.645721391647169e-09 1.520558551910772e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.121747292303475 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.627124285698139e-18 } }