{ "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" [ 5.55154 0 0 ] "si-unit" "m" "si-value" [ 5.55154e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.061684 5.43974 0 ] "si-unit" "m" "si-value" [ 6.1684e-12 5.43974e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.265567 0.0876051 5.42724 ] "si-unit" "m" "si-value" [ 2.65567e-11 8.760510000000001e-12 5.427240000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0647023 0.102264 0.485367 ] [ 1.35693 1.92881 1.38138 ] [ 0.0777781 2.73495 2.46621 ] [ 1.63547 4.09153 3.75722 ] [ 2.82757 -0.0639025 2.36092 ] [ 4.37612 1.31575 3.25969 ] [ 2.62065 2.47384 -0.106223 ] [ 4.18903 3.98589 0.601522 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.470230000000001e-12 1.02264e-11 4.85367e-11 ] [ 1.35693e-10 1.92881e-10 1.38138e-10 ] [ 7.77781e-12 2.73495e-10 2.46621e-10 ] [ 1.63547e-10 4.09153e-10 3.75722e-10 ] [ 2.82757e-10 -6.390250000000001e-12 2.36092e-10 ] [ 4.37612e-10 1.31575e-10 3.25969e-10 ] [ 2.62065e-10 2.47384e-10 -1.06223e-11 ] [ 4.18903e-10 3.98589e-10 6.01522e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.575412699999999 0.5382187999999999 -4.219040499999999 ] [ 6.124230399999999 -11.855428499999999 -3.4426428999999996 ] [ -6.517110899999999 11.838490199999999 4.495005699999999 ] [ -2.7380539999999995 0.7226256999999999 4.636133999999999 ] [ -0.3602408999999999 0.6168657999999999 -2.6507598999999997 ] [ -4.802012099999999 -1.9029694999999998 7.2227749999999995 ] [ 5.504241999999999 1.5910672999999997 -10.008208899999998 ] [ -1.7864672999999998 -1.5488696999999998 3.9667374999999994 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.33061931884685e-09 8.62321585339519e-10 -6.759648106999675e-09 ] [ 9.812098848112471e-09 -1.899449052875767e-08 -5.515722013585998e-09 ] [ -1.044156280516671e-08 1.896735238027798e-08 7.201793102236812e-09 ] [ -4.386846141430235e-09 1.157774011667894e-09 7.427905566892954e-09 ] [ -5.771695525911305e-10 9.88327971073717e-10 -4.246985574124176e-09 ] [ -7.69367158280527e-09 -3.048893268114662e-09 1.157216133763935e-08 ] [ 8.818767920281425e-09 2.549170851181468e-09 -1.603491844777084e-08 ] [ -2.862236165465068e-09 -2.481562842450589e-09 6.355414135711573e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -24.590534 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.939837899238255e-18 } }