{ "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" [ 5.46438 0 0 ] "si-unit" "m" "si-value" [ 5.46438e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0372754 5.43203 0 ] "si-unit" "m" "si-value" [ 3.72754e-12 5.432030000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.17857 -0.0223871 5.50346 ] "si-unit" "m" "si-value" [ 1.7857e-11 -2.23871e-12 5.503459999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00726127 0.010583 0.00336114 ] [ 1.28417 1.2786 1.26313 ] [ 0.0794421 2.71348 2.73185 ] [ 1.57701 4.05847 4.12903 ] [ 2.78941 -0.159624 2.68623 ] [ 4.22148 1.3448 3.91745 ] [ 2.73822 2.68922 0.00939316 ] [ 4.14349 4.04668 1.21083 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.26127e-13 1.0583e-12 3.36114e-13 ] [ 1.28417e-10 1.2786e-10 1.26313e-10 ] [ 7.944210000000001e-12 2.71348e-10 2.73185e-10 ] [ 1.57701e-10 4.05847e-10 4.12903e-10 ] [ 2.78941e-10 -1.59624e-11 2.68623e-10 ] [ 4.22148e-10 1.3448e-10 3.91745e-10 ] [ 2.73822e-10 2.68922e-10 9.39316e-13 ] [ 4.14349e-10 4.04668e-10 1.21083e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5663571 -0.1110851 -2.9082234 ] [ 2.3631166 0.7844972 2.3420808 ] [ 0.6809249 1.181907 -1.379102 ] [ -1.1476069 -1.2428199 0.3374169 ] [ -0.0345985 2.3227247 -1.1778257 ] [ -0.6689017 -1.4103114 2.5299494 ] [ -0.2904011 -0.8038473 -1.6120363 ] [ 0.6638239 -0.7210651 1.8677402 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.509580725444088e-09 -1.779779501392301e-10 -4.659487539543486e-09 ] [ 3.786130168744385e-09 1.256903072923062e-09 3.752427101784561e-09 ] [ 1.090961955300578e-09 1.893623763359865e-09 -2.209564982098522e-09 ] [ -1.838668945048764e-09 -1.991216987644994e-09 5.406014686428116e-10 ] [ -5.54329078147488e-11 3.721415210894694e-09 -1.887084799917395e-09 ] [ -1.071698665353376e-09 -2.259567953127717e-09 4.053425780486987e-09 ] [ -4.65273853074603e-10 -1.287905350753204e-09 -2.582766871740935e-09 ] [ 1.063563132908277e-09 -1.155273645294814e-09 2.992449682168316e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.727799 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.403789102884162e-18 } }