{ "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" [ [ 0.5963241 0.097575 -3.5204925 ] [ 0.4378151 0.8029666 2.1824107 ] [ -0.5997634 0.6845662 0.4508657 ] [ 0.0063892 -0.8188051 0.8731236 ] [ -1.1852654 0.4643434 1.613447 ] [ 0.7768398 0.7569165 0.5395415 ] [ -0.0220558 1.6164256 -2.0571661 ] [ -0.0102834 -3.6039882 -0.0817299 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.554165314396014e-10 1.5633238377456e-10 -5.640450777201744e-09 ] [ 7.014571174532142e-10 1.286494313803265e-09 3.496607400523763e-09 ] [ -9.609268974915187e-10 1.096795961029897e-09 7.223664836606266e-10 ] [ 1.023662686561536e-11 -1.311870388211806e-09 1.398898218988731e-09 ] [ -1.89900451332316e-09 7.439601395027828e-10 2.585027062299898e-09 ] [ 1.244634565666948e-09 1.212713920197763e-09 8.644407772513632e-10 ] [ -3.533728711304064e-11 2.589799305582613e-09 -3.295943430522314e-09 ] [ -1.647582306233472e-11 -5.774225635679075e-09 -1.309457350003219e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.717616 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.722592930591201e-18 } }