{ "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" [ 5.4238 0 0 ] "si-unit" "m" "si-value" [ 5.4238e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0012341 5.50722 0 ] "si-unit" "m" "si-value" [ -1.2341e-13 5.507220000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00966142 -0.113973 5.43239 ] "si-unit" "m" "si-value" [ -9.661420000000001e-13 -1.13973e-11 5.43239e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0339885 -0.0385369 0.0299316 ] [ 1.35039 1.32575 1.36375 ] [ -0.105411 2.62445 2.64243 ] [ 1.34087 3.97443 4.1654 ] [ 2.65221 0.0889868 2.75972 ] [ 4.05512 1.26127 4.10909 ] [ 2.71709 2.70534 0.0564386 ] [ 4.05687 4.02913 1.37335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.39885e-12 -3.85369e-12 2.99316e-12 ] [ 1.35039e-10 1.32575e-10 1.36375e-10 ] [ -1.05411e-11 2.62445e-10 2.64243e-10 ] [ 1.34087e-10 3.97443e-10 4.1654e-10 ] [ 2.652210000000001e-10 8.89868e-12 2.75972e-10 ] [ 4.05512e-10 1.26127e-10 4.10909e-10 ] [ 2.71709e-10 2.70534e-10 5.64386e-12 ] [ 4.05687e-10 4.02913e-10 1.37335e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1948457 -0.3442844 0.1021554 ] [ -0.6332249 0.3974595 -0.3492254 ] [ 1.7372007 0.6363555 2.0700562 ] [ -0.2083021 0.5715361 -2.2486644 ] [ 0.3000355 -3.8888107 0.0810435 ] [ 0.1551499 0.5867062 0.0666102 ] [ -0.3145831 -0.0149239 -0.4337709 ] [ -1.2311216 2.0559617 0.7117955 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.121772252034106e-10 -5.516044165861555e-10 1.636709935684723e-10 ] [ -1.014538130488418e-09 6.368003186148576e-10 -5.595207712695284e-10 ] [ 2.783302347177395e-09 1.019553904617495e-09 3.316595647382089e-09 ] [ -3.337367546835436e-10 9.157017773632109e-10 -3.602757529705259e-09 ] [ 4.807098635100384e-10 -6.230561586256883e-09 1.298460009678048e-10 ] [ 2.485775424994579e-10 9.400069569184088e-10 1.067213051468122e-10 ] [ -5.040176881187886e-10 -2.391072367115712e-11 -6.949775947633747e-10 ] [ -1.972474244881889e-09 3.294013769000224e-09 1.140422108890647e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.497329 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.847516724544585e-18 } }