{ "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" [ [ 9.9424362 -0.4289752 -0.6242862999999998 ] [ -0.6075598 -3.1949365 0.5493819999999999 ] [ 0.3428007 0.7612459 3.1560128999999995 ] [ -8.2945507 -7.0824167 8.126537499999998 ] [ 6.709895 8.4288722 -5.4283269999999995 ] [ -4.6362658 3.5142127 -5.026063499999999 ] [ -1.4782374 -1.23025 -5.683798099999999 ] [ -1.9785182 -0.7677524 4.930542499999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.592953883343559e-08 -6.872940363430042e-10 -1.000216914545735e-09 ] [ -9.73418107297924e-10 -5.118852565240579e-09 8.802069962883454e-10 ] [ 5.492272671338746e-10 1.219650383659855e-09 5.056490083323207e-09 ] [ -1.328933521158027e-08 -1.134728245550349e-08 1.302014839055448e-08 ] [ 1.075043689702282e-08 1.350454197855106e-08 -8.6971386094574e-09 ] [ -7.428116672574609e-09 5.630389428458444e-09 -8.05264143435622e-09 ] [ -2.368397402272178e-09 -1.9710777877392e-09 -9.106448433167459e-09 ] [ -3.169935603867298e-09 -1.23007494584309e-09 7.899599921360782e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.670706 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.394641795903029e-18 } }