{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.059319999999999e-10 0.0 0.0 ] "source-value" [ 5.05932 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.24512e-11 5.441290000000001e-10 0.0 ] "source-value" [ 0.224512 5.44129 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.27401e-11 6.88972e-11 5.24092e-10 ] "source-value" [ 0.327401 0.688972 5.24092 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 2.121393213236112e-08 1.213916113425181e-08 -6.819594931534534e-09 ] [ -2.702005181737747e-09 -3.825486035257716e-09 1.495552968318226e-08 ] [ 2.334374797207101e-08 1.91952543180886e-08 -2.760738140803657e-08 ] [ -3.84967005821685e-08 3.019655362168979e-08 -2.536361187769591e-08 ] [ 1.438394596391706e-09 4.47483380007837e-09 -5.579239619404081e-09 ] [ -1.823960995713352e-08 -1.500741072564635e-08 6.287418508652198e-09 ] [ 2.661618266503632e-08 -2.550662809092201e-08 2.339435272063898e-08 ] [ -1.31739416448204e-08 -2.166627802228249e-08 2.073252676397999e-08 ] ] "source-value" [ [ 13.2406951 7.5766685 -4.2564564 ] [ -1.686459 -2.3876806 9.3345075 ] [ 14.5700216 11.9807355 -17.2311723 ] [ -24.0277508 18.8472065 -15.8307215 ] [ 0.8977753 2.7929716 -3.4822875 ] [ -11.3842692 -9.3668891 3.924298 ] [ 16.6125147 -15.9199852 14.6016066 ] [ -8.2225277 -13.5230272 12.9402255 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.19472e-11 7.96179e-12 1.52764e-11 ] [ 1.48092e-10 1.5486e-10 7.72169e-11 ] [ 6.127040000000001e-12 2.84226e-10 2.786300000000001e-10 ] [ 1.84412e-10 4.4971e-10 3.9905e-10 ] [ 2.88701e-10 3.05191e-11 2.51679e-10 ] [ 4.25223e-10 1.88781e-10 3.92663e-10 ] [ 2.58737e-10 2.78734e-10 -6.247970000000001e-11 ] [ 3.988e-10 4.24006e-10 4.8768e-11 ] ] "source-value" [ [ -0.119472 0.0796179 0.152764 ] [ 1.48092 1.5486 0.772169 ] [ 0.0612704 2.84226 2.7863 ] [ 1.84412 4.4971 3.9905 ] [ 2.88701 0.305191 2.51679 ] [ 4.25223 1.88781 3.92663 ] [ 2.58737 2.78734 -0.624797 ] [ 3.988 4.24006 0.48768 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.09351564444775e-18 "source-value" -13.066697 } }