{ "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" [ [ 1.7528688 -0.6350551 -0.7581271999999999 ] [ 0.0848269 -0.5334876 -0.49490829999999997 ] [ 0.2356993 -0.7788427 1.4099254999999997 ] [ -1.470714 -0.3544889 1.3353796999999998 ] [ 0.5278579 1.2424941 0.04158339999999999 ] [ -0.3014423 1.3482636 -1.0681686999999997 ] [ -1.2322541 -0.4065109 -1.2143031999999998 ] [ 0.4031575 0.1176276 0.7486188999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.808405410689751e-09 -1.017470434139806e-09 -1.214653675432565e-09 ] [ 1.359076759949395e-10 -8.547413602067019e-10 -7.929305076998726e-10 ] [ 3.776319079989254e-10 -1.247843565220748e-09 2.25894967316975e-09 ] [ -2.356343586683251e-09 -5.679538279131091e-10 2.139514135230917e-09 ] [ 8.457215864845843e-10 1.990694998501938e-09 6.662395129337471e-11 ] [ -4.829638055801799e-10 2.160156418595643e-09 -1.711394918210329e-09 ] [ -1.974288709904945e-09 -6.513022600803668e-10 -1.945528197602627e-09 ] [ 6.45929521000176e-10 1.884601906808141e-10 1.199419699469013e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 650.16594 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.041680668708456e-16 } }