{ "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" [ [ -1.0328066999999996 0.49182699999999985 1.4515458999999995 ] [ -0.6432948999999998 -0.05818639999999998 0.7152757999999998 ] [ -0.12129939999999996 -1.3646630999999996 -2.018022699999999 ] [ 2.370051999999999 -0.5676062999999998 0.8666926999999996 ] [ -0.5478630999999998 0.21908789999999992 0.19801119999999994 ] [ 1.0515334999999995 -0.8632236999999997 -0.5500103999999998 ] [ -1.8952859999999994 0.9447838999999997 -1.1206726999999996 ] [ 0.8189645999999998 1.1979807999999996 0.4571801999999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.654738762178647e-09 7.879937273703177e-10 2.3256329241585e-09 ] [ -1.030672057551366e-09 -9.322489049657756e-11 1.145998173625657e-09 ] [ -1.943430643982195e-10 -2.186431332102005e-09 -3.23322881682159e-09 ] [ 3.797241935764966e-09 -9.094055511711938e-10 1.388594792798371e-09 ] [ -8.777734574508051e-10 3.510175141721284e-10 3.172489179103007e-10 ] [ 1.684742403568238e-09 -1.383036842055025e-09 -8.812138113369931e-10 ] [ -3.036582943947323e-09 1.513710688759392e-09 -1.795515614301691e-09 ] [ 1.312125946193156e-09 1.919376845740626e-09 7.324834339674464e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.276344 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.812111072374609e-18 } }