{ "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" [ [ -1.01361 0.0084951 0.2801839 ] [ -0.5765058 1.0044374 -2.2407281 ] [ -1.3213686 0.5701127 0.1593395 ] [ 2.2866952 0.5557182 0.2221408 ] [ 0.6269308 -2.4162652 1.7235581 ] [ -0.1139633 0.6468316 1.2118557 ] [ -0.4623334 -0.3517443 -1.2293001 ] [ 0.574155 -0.0175856 -0.1270497 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.623982244609088e-09 1.361065061135808e-11 4.489040941045651e-10 ] [ -9.236641145156006e-10 1.609286119337138e-09 -3.590042175389605e-09 ] [ -2.117065878379227e-09 9.134212391611642e-10 2.552900216699616e-10 ] [ 3.66368958833558e-09 8.903587077930587e-10 3.559087962858087e-10 ] [ 1.004453870619441e-09 -3.871283613092636e-09 2.761444492410468e-09 ] [ -1.825893348892167e-10 1.036338467114657e-09 1.941606870323219e-09 ] [ -7.407397644949748e-10 -5.635564939596614e-10 -1.969555880167102e-09 ] [ 9.19897717715424e-10 -2.817523718274048e-11 -2.035560590196537e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.287313 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.813868452025191e-18 } }