{ "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" [ 5.45404 0 0 ] "si-unit" "m" "si-value" [ 5.45404e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00269758 5.32364 0 ] "si-unit" "m" "si-value" [ 2.69758e-13 5.32364e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0264471 0.0433477 5.27221 ] "si-unit" "m" "si-value" [ -2.64471e-12 4.33477e-12 5.272210000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0265045 0.0366931 0.0259636 ] [ 1.48655 1.36127 1.37402 ] [ -0.0176096 2.76119 2.70854 ] [ 1.17184 4.14313 4.05378 ] [ 2.72197 0.0231604 2.74475 ] [ 4.08411 1.50063 4.06205 ] [ 2.69936 2.73466 -0.181062 ] [ 4.07246 4.14715 1.4277 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.65045e-12 3.66931e-12 2.59636e-12 ] [ 1.48655e-10 1.36127e-10 1.37402e-10 ] [ -1.76096e-12 2.76119e-10 2.70854e-10 ] [ 1.17184e-10 4.14313e-10 4.05378e-10 ] [ 2.72197e-10 2.31604e-12 2.74475e-10 ] [ 4.08411e-10 1.50063e-10 4.06205e-10 ] [ 2.69936e-10 2.73466e-10 -1.81062e-11 ] [ 4.07246e-10 4.14715e-10 1.4277e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.379163 6.2556625 6.3520055 ] [ -2.5332492 1.9496529 -1.8796754 ] [ 0.3989986 -0.8721202 -1.5833481 ] [ 6.1537551 -3.7148905 -6.7816463 ] [ -0.876406 2.3000883 3.9488443 ] [ 3.3154803 -6.161328 -5.1572439 ] [ -2.6370903 4.252567 9.4088832 ] [ 0.5576745 -4.009632 -4.3078192 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.016192635077342e-09 1.002267628769002e-08 1.017703479113949e-08 ] [ -4.058712676339192e-09 3.123688320790338e-09 -3.011572005384603e-09 ] [ 6.392662339187123e-10 -1.397290606479407e-09 -2.536803329308295e-09 ] [ 9.859402632578332e-09 -5.951910756968577e-09 -1.086539524191255e-08 ] [ -1.404157215097404e-09 3.685147730396782e-09 6.326746068764086e-09 ] [ 5.311985067147309e-09 -9.871535756009953e-09 -8.262815672419032e-09 ] [ -4.22508446040805e-09 6.813363481919477e-09 1.507469281507515e-08 ] [ 8.934930532776328e-10 -6.424138701338687e-09 -6.901887265736572e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.292475 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.494260216702915e-18 } }