{ "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" [ [ 24.4812522 -2.4348739 1.1087449999999999 ] [ -0.8546478 -8.3355283 0.5531870999999999 ] [ -0.1972071 1.7952951 6.778959499999999 ] [ -24.4293777 -21.3626453 23.530042499999997 ] [ 23.1718049 23.7055297 -20.080122199999998 ] [ -12.8603673 11.7111319 -13.935845099999998 ] [ -4.2069067 -3.6558098 -13.407104499999999 ] [ -5.1045505 -1.4230996 15.452137599999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.92232902459011e-08 -3.901098069316452e-09 1.77640533206433e-09 ] [ -1.369296735459505e-09 -1.335498867430574e-08 8.863034458502212e-10 ] [ -3.159606076789014e-10 2.876379860354693e-09 1.086109051373232e-08 ] [ -3.914017813410066e-08 -3.422673114008992e-08 3.769928429052694e-08 ] [ 3.71253243783867e-08 3.798044578193303e-08 -3.217190259670467e-08 ] [ -2.060457999271766e-08 1.876330188787202e-08 -2.232768539426339e-08 ] [ -6.740207616158047e-09 -5.857253039908213e-09 -2.148054955949625e-08 ] [ -8.178391538173017e-09 -2.280056926974746e-09 2.475705380807283e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -28.811571 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.616122584503201e-18 } }