{ "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" [ 5.47613 0 0 ] "si-unit" "m" "si-value" [ 5.476130000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0968569 5.44973 0 ] "si-unit" "m" "si-value" [ -9.68569e-12 5.44973e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0334568 0.0277585 5.60527 ] "si-unit" "m" "si-value" [ -3.34568e-12 2.77585e-12 5.60527e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000509808 0.0158858 0.00549688 ] [ 1.34999 1.33014 1.19729 ] [ 0.0276425 2.69054 2.64154 ] [ 1.36667 4.13087 4.06954 ] [ 2.77416 0.0351576 2.5647 ] [ 4.07457 1.31666 4.03649 ] [ 2.84869 2.60665 0.046702 ] [ 4.10529 4.27129 1.35792 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.098080000000001e-14 1.58858e-12 5.49688e-13 ] [ 1.34999e-10 1.33014e-10 1.19729e-10 ] [ 2.76425e-12 2.69054e-10 2.64154e-10 ] [ 1.36667e-10 4.13087e-10 4.06954e-10 ] [ 2.77416e-10 3.51576e-12 2.5647e-10 ] [ 4.07457e-10 1.31666e-10 4.03649e-10 ] [ 2.84869e-10 2.60665e-10 4.6702e-12 ] [ 4.10529e-10 4.27129e-10 1.35792e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6029238 -0.1946925 -2.9894114 ] [ 0.385145 0.7371191 1.594223 ] [ -0.2701501 0.649986 0.716915 ] [ -0.0446117 -0.6868625 0.6593281 ] [ -0.9313658 0.2863554 1.5457671 ] [ 0.5023323 0.68201 0.4873364 ] [ -0.2866316 1.3555661 -1.930529 ] [ 0.0423581 -2.8294816 -0.0836292 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.65990416483895e-10 -3.11931771745104e-10 -4.789565055032997e-09 ] [ 6.17070314618016e-10 1.180994988765137e-09 2.554226818941638e-09 ] [ -4.328281743267821e-10 1.041392373047309e-09 1.148624452100832e-09 ] [ -7.147582275414336e-11 -1.10047503920424e-09 1.056360067256484e-09 ] [ -1.492212510172689e-09 4.587919271198323e-10 2.476591908821815e-09 ] [ 8.048250669326918e-10 1.092700477151808e-09 7.807989865448371e-10 ] [ -4.592344483024973e-10 2.171856313369035e-09 -3.093048429576403e-09 ] [ 6.786515752150849e-11 -4.533329268503777e-09 -1.339887490562074e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.88175 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.74889009633904e-18 } }