{ "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" [ [ 1.3189112 0.2870444 -8.4367489 ] [ 1.1287399 1.0845026 5.2189354 ] [ -0.8692427 1.0209663 -0.2751359 ] [ -0.038433 -0.3852083 1.7494163 ] [ -3.8210674 2.046602 2.6608145 ] [ 1.3405945 0.6105614 1.4460224 ] [ 1.1648508 3.7690938 -3.2191772 ] [ -0.2243533 -8.4335621 0.8558733 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.113128706960901e-09 4.598958306005495e-10 -1.35171619545052e-08 ] [ 1.808440693643496e-09 1.737564725232248e-09 8.361656352235444e-09 ] [ -1.392680343215072e-09 1.635768349961434e-09 -4.408163101545605e-10 ] [ -6.1576454574522e-11 -6.17171737482862e-10 2.802873918998734e-09 ] [ -6.122024905219131e-09 3.279017903497668e-09 4.263094819308393e-09 ] [ 2.147869183568913e-09 9.782272087023276e-10 2.316783301520601e-09 ] [ 1.866296733856207e-09 6.038754017714269e-09 -5.157690490545544e-09 ] [ -3.594536150207922e-10 -1.351205613800797e-08 1.371260202924472e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.719191 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.562627657158309e-18 } }