{ "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" [ [ 0.4876047 -0.8118223 -2.6541887 ] [ -0.1578602 0.9695278 0.208695 ] [ 0.0963891 0.4437397 0.8671021 ] [ 0.1541357 -0.6020019 1.083993 ] [ -1.1791616 -0.1165191 1.2222681 ] [ 0.1046507 0.7323278 0.2424103 ] [ 0.4704289 1.3012506 -1.215872 ] [ 0.0238127 -1.9165025 0.2455923 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.812288505321977e-10 -1.300682709304084e-09 -4.252479082331546e-09 ] [ -2.529199217948122e-10 1.553354774375658e-09 3.34366249877856e-10 ] [ 1.544323625199533e-10 7.109493730608059e-10 1.389250712466584e-09 ] [ 2.469526149706426e-10 -9.645133698571795e-10 1.736748241710854e-09 ] [ -1.889225147665122e-09 -1.866841778966573e-10 1.958289374169636e-09 ] [ 1.676689048903546e-10 1.173318479921898e-09 3.883841153011142e-10 ] [ 7.537101853286612e-10 2.084833289121972e-09 -1.948041692285338e-09 ] [ 3.815215121812416e-11 -3.070575499204752e-09 3.934822413084999e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 144.11261 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.308938545044683e-17 } }