{ "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" [ [ 0.3491183 0.281111 -1.8724777 ] [ 0.5103078 -0.0197275 1.5242802 ] [ -0.3983428 0.5783008 -0.1512778 ] [ -0.0830363 -0.3406208 0.4964131 ] [ -0.5625344 0.4334258 0.6054229 ] [ 0.5372037 0.1103317 0.6786469 ] [ -0.3306401 1.216384 -1.3283456 ] [ -0.0220762 -2.259205 0.047338 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.593491781534407e-10 4.503894720497088e-10 -3.000039993909356e-09 ] [ 8.176032265718823e-10 -3.1606939286832e-11 2.442166099988348e-09 ] [ -6.382155212240103e-10 9.265400215499366e-10 -2.423737544060582e-10 ] [ -1.33038818537735e-10 -5.457346823181926e-10 7.953414630788524e-10 ] [ -9.012794640757555e-10 6.944246836115367e-10 9.699944160769364e-10 ] [ 8.606952087472569e-10 1.767708702731194e-10 1.087312196958396e-09 ] [ -5.297438381189741e-10 1.948862006715187e-09 -2.128244264662548e-09 ] [ -3.536997151610496e-11 -3.619645432594465e-09 7.584383687543039e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -36.637114 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.869912750438437e-18 } }