{ "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" [ 5.42446 0 0 ] "si-unit" "m" "si-value" [ 5.42446e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00225581 5.46076 0 ] "si-unit" "m" "si-value" [ -2.25581e-13 5.46076e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0117255 0.0343157 5.56103 ] "si-unit" "m" "si-value" [ -1.17255e-12 3.43157e-12 5.56103e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0182071 0.00139191 0.0164222 ] [ 1.32892 1.32964 1.49498 ] [ -0.00509802 2.67752 2.7579 ] [ 1.15566 4.0451 4.18086 ] [ 2.64397 0.106198 2.73506 ] [ 4.03699 1.34406 4.11378 ] [ 2.695 2.72586 0.109097 ] [ 4.00933 4.13019 1.43696 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.82071e-12 1.39191e-13 1.64222e-12 ] [ 1.32892e-10 1.32964e-10 1.49498e-10 ] [ -5.098020000000001e-13 2.67752e-10 2.7579e-10 ] [ 1.15566e-10 4.0451e-10 4.18086e-10 ] [ 2.64397e-10 1.06198e-11 2.73506e-10 ] [ 4.036990000000001e-10 1.34406e-10 4.11378e-10 ] [ 2.695e-10 2.72586e-10 1.09097e-11 ] [ 4.009330000000001e-10 4.13019e-10 1.43696e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3802523 -0.0061531 0.3457551 ] [ -0.4306946 1.1422312 -2.5300978 ] [ -1.7487673 0.5952408 0.0859565 ] [ 3.2886675 0.8272019 0.0779034 ] [ 0.179652 -3.1247887 2.2541144 ] [ -0.1389067 0.9780445 1.5205257 ] [ -0.5803552 -0.5216918 -1.6017927 ] [ 0.8106568 0.1099151 -0.1523646 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.211407965865428e-09 -9.85835296544448e-12 5.539607377423661e-10 ] [ -6.900488188248077e-10 1.830056124188329e-09 -4.053663543497515e-09 ] [ -2.80183408327954e-09 9.536808935062887e-10 1.377174947057952e-10 ] [ 5.269026182084783e-09 1.32532354486134e-09 1.248150061608307e-10 ] [ 2.878342342799616e-10 -5.006463400080025e-09 3.61148939228862e-09 ] [ -2.225530672124793e-10 1.567000032002026e-09 2.436150727865555e-09 ] [ -9.298315331997081e-10 -8.358424052230695e-10 -2.566354815308109e-09 ] [ 1.298815372452541e-09 1.761034034928941e-10 -2.441149999575437e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.184594 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.797411053993996e-18 } }