{ "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" [ [ 3.1531314 0.0807769 -0.6618471999999999 ] [ -0.3228704 -0.7685269 0.16072379999999997 ] [ 0.3126208 0.1173006 1.3795044999999997 ] [ -2.306005 -1.7738504 2.2993243999999997 ] [ 1.2003152 2.2854796 -0.7967750999999998 ] [ -1.0531524 0.8192677 -1.5228598999999998 ] [ -0.6889152 -0.6059174 -2.0571453999999996 ] [ -0.2951243 -0.1545301 1.1990748999999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.051873411390374e-09 1.294188606806995e-10 -1.060396110381942e-09 ] [ -5.172954064283443e-10 -1.231315831635899e-09 2.57507914766135e-10 ] [ 5.008737369357926e-10 1.879362789258125e-10 2.210209858188393e-09 ] [ -3.694627298447904e-09 -2.842021639676729e-09 3.683923797314987e-09 ] [ 1.923116951030876e-09 3.661741982435335e-09 -1.276574437255582e-09 ] [ -1.68733615341941e-09 1.312611555116588e-09 -2.439890528533826e-09 ] [ -1.103763827153756e-09 -9.70786692415922e-10 -3.295910265466264e-09 ] [ -4.728412536899654e-10 -2.475845134298861e-10 1.921129771368098e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.844949 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.742993926156835e-18 } }