{ "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" [ 5.52208 0 0 ] "si-unit" "m" "si-value" [ 5.52208e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0968577 5.45697 0 ] "si-unit" "m" "si-value" [ -9.68577e-12 5.456970000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.137264 0.147448 5.57607 ] "si-unit" "m" "si-value" [ 1.37264e-11 1.47448e-11 5.57607e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0138032 0.0341723 -0.113332 ] [ 1.31844 1.45238 1.31404 ] [ 0.0088982 2.79356 2.65987 ] [ 1.44046 4.10222 4.12461 ] [ 2.80067 0.127474 2.69388 ] [ 4.04292 1.57371 4.10996 ] [ 2.66616 2.79739 -0.110182 ] [ 4.02446 4.16186 1.2374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.38032e-12 3.41723e-12 -1.13332e-11 ] [ 1.31844e-10 1.45238e-10 1.31404e-10 ] [ 8.8982e-13 2.79356e-10 2.65987e-10 ] [ 1.44046e-10 4.10222e-10 4.12461e-10 ] [ 2.80067e-10 1.27474e-11 2.69388e-10 ] [ 4.04292e-10 1.57371e-10 4.10996e-10 ] [ 2.66616e-10 2.79739e-10 -1.10182e-11 ] [ 4.024460000000001e-10 4.16186e-10 1.2374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.230706 1.2107562 -1.4756066 ] [ 0.5100324 -0.7514669 -0.4073284 ] [ -0.8316792 0.8357116 0.4771592 ] [ -1.5453302 1.820573 -1.122332 ] [ -0.3803235 -0.3355404 -0.2007324 ] [ 2.8429515 -2.0229117 0.5899154 ] [ 0.1981389 -0.7069656 1.1847098 ] [ 0.4369161 -0.0501562 0.9542151 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.971808396523604e-09 1.939845293110631e-09 -2.364182415496184e-09 ] [ 8.171619938629416e-10 -1.203982708404414e-09 -6.526120448446054e-10 ] [ -1.332496981223813e-09 1.338957598282754e-09 7.644933209381327e-10 ] [ -2.475891938254547e-09 2.916879521091282e-09 -1.798174105990488e-09 ] [ -6.093454250610989e-10 -5.375949886430136e-10 -3.216087609667416e-10 ] [ 4.55491046489525e-09 -3.241061858385217e-09 9.451486699167636e-10 ] [ 3.174535158664626e-10 -1.13268376536179e-09 1.898114359630813e-09 ] [ 7.000167664384073e-10 -8.035909169023079e-11 1.528821137029973e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.40686 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.833022040930924e-18 } }