{ "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" [ 5.44141 0 0 ] "si-unit" "m" "si-value" [ 5.441410000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0387259 5.36248 0 ] "si-unit" "m" "si-value" [ 3.87259e-12 5.36248e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.184794 -0.00314768 5.51994 ] "si-unit" "m" "si-value" [ -1.84794e-11 -3.14768e-13 5.51994e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.139299 -0.0133288 0.0135909 ] [ 1.42253 1.35934 1.29237 ] [ 0.0199653 2.64656 2.62294 ] [ 1.43068 4.14401 3.95964 ] [ 2.73386 -0.0804287 2.7169 ] [ 4.04879 1.39288 4.20461 ] [ 2.82765 2.77065 0.103593 ] [ 4.1636 4.04392 1.34337 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.39299e-11 -1.33288e-12 1.35909e-12 ] [ 1.42253e-10 1.35934e-10 1.29237e-10 ] [ 1.99653e-12 2.64656e-10 2.62294e-10 ] [ 1.43068e-10 4.14401e-10 3.95964e-10 ] [ 2.73386e-10 -8.042870000000001e-12 2.7169e-10 ] [ 4.04879e-10 1.39288e-10 4.20461e-10 ] [ 2.827650000000001e-10 2.77065e-10 1.03593e-11 ] [ 4.1636e-10 4.04392e-10 1.34337e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.0213757 -0.5864248 -0.9581629999999999 ] [ 0.076493 -0.6482655 -0.5248176999999999 ] [ 0.2982072 -0.8279383 1.6424476999999997 ] [ -1.6976347 -0.498081 1.5411347999999998 ] [ 0.5541905 1.4887401 0.08338219999999999 ] [ -0.308073 1.4334294 -1.2096584999999997 ] [ -1.4078054 -0.411749 -1.4336973999999998 ] [ 0.4632466 0.050289 0.8593717999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.238600888393235e-09 -9.395561044173157e-10 -1.53514635751559e-09 ] [ 1.225552962548544e-10 -1.038635828171223e-09 -8.408506491220282e-10 ] [ 4.777806039942297e-10 -1.326503387724897e-09 2.631491305826732e-09 ] [ -2.719910626998822e-09 -7.980137334646849e-10 2.469170146061284e-09 ] [ 8.879110625694624e-10 2.385224582667454e-09 1.335930114308698e-10 ] [ -4.935873580997184e-10 2.296607072247372e-09 -1.938086567851997e-09 ] [ -2.255552898515992e-09 -6.596946214377791e-10 -2.297036455581746e-09 ] [ 7.422028721850893e-10 8.05718600834112e-11 1.376865406534813e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 151.9986 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.435286033143309e-17 } }