{ "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" [ 5.35419 0 0 ] "si-unit" "m" "si-value" [ 5.35419e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.128546 5.3923 0 ] "si-unit" "m" "si-value" [ 1.28546e-11 5.3923e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0752915 -0.0875116 5.49588 ] "si-unit" "m" "si-value" [ 7.52915e-12 -8.75116e-12 5.495879999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00225511 0.0160353 -0.067451 ] [ 1.37153 1.32836 1.3623 ] [ 0.0305896 2.71279 2.89841 ] [ 1.38735 4.02786 4.05412 ] [ 2.7178 -0.0621827 2.7228 ] [ 3.99586 1.31169 4.14487 ] [ 2.78113 2.65016 0.11239 ] [ 4.13075 3.95144 1.3393 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.25511e-13 1.60353e-12 -6.7451e-12 ] [ 1.37153e-10 1.32836e-10 1.3623e-10 ] [ 3.05896e-12 2.71279e-10 2.89841e-10 ] [ 1.38735e-10 4.027860000000001e-10 4.05412e-10 ] [ 2.7178e-10 -6.21827e-12 2.7228e-10 ] [ 3.99586e-10 1.31169e-10 4.14487e-10 ] [ 2.78113e-10 2.65016e-10 1.1239e-11 ] [ 4.13075e-10 3.95144e-10 1.3393e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0328063999999995 0.49182729999999986 1.4515458999999995 ] [ -0.6432950999999998 -0.05818619999999998 0.7152758999999997 ] [ -0.12129919999999995 -1.3646633999999995 -2.018022799999999 ] [ 2.370052199999999 -0.5676064999999998 0.8666927999999997 ] [ -0.5478629999999998 0.21908799999999992 0.19801129999999995 ] [ 1.0515334999999995 -0.8632238999999997 -0.5500107999999998 ] [ -1.8952864999999994 0.9447839999999996 -1.1206727999999995 ] [ 0.8189644999999998 1.1979807999999996 0.4571804999999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.654738281525657e-09 7.879942080233079e-10 2.3256329241585e-09 ] [ -1.030672377986693e-09 -9.322457006125075e-11 1.14599833384332e-09 ] [ -1.943427439628927e-10 -2.186431812754995e-09 -3.233228977039253e-09 ] [ 3.797242256200293e-09 -9.094058716065206e-10 1.388594953016035e-09 ] [ -8.777732972331416e-10 3.510176743897918e-10 3.172490781279641e-10 ] [ 1.684742403568238e-09 -1.383037162490352e-09 -8.812144522076468e-10 ] [ -3.03658374503564e-09 1.513710848977055e-09 -1.795515774519354e-09 ] [ 1.312125785975492e-09 1.919376845740626e-09 7.324839146204366e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.276344 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.812111072374609e-18 } }