{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.476130000000001e-10 0.0 0.0 ] "source-value" [ 5.47613 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -9.68569e-12 5.44973e-10 0.0 ] "source-value" [ -0.0968569 5.44973 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.34568e-12 2.77585e-12 5.60527e-10 ] "source-value" [ -0.0334568 0.0277585 5.60527 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 1.56286401305543e-10 -2.602050188895898e-10 -8.507142892703213e-10 ] [ -5.059769899083648e-11 3.107517686638848e-10 6.688831043580672e-11 ] [ 3.089509221421056e-11 1.422269810226989e-10 2.77923650356679e-10 ] [ 4.940343653769216e-11 -1.929534950138477e-10 3.474396906682598e-10 ] [ -3.779417689573882e-10 -3.734817898980672e-11 3.917595810058157e-10 ] [ 3.354204820943424e-11 2.347251234360212e-10 7.769659391972352e-11 ] [ 1.507800406951776e-10 4.170744522674419e-10 -3.897097562371641e-10 ] [ 7.63260920382912e-12 -6.142719529321266e-10 7.871621912120064e-11 ] ] "source-value" [ [ 0.0975463 -0.1624072 -0.5309741 ] [ -0.0315806 0.193956 0.0417484 ] [ 0.0192832 0.0887711 0.1734663 ] [ 0.0308352 -0.1204321 0.2168548 ] [ -0.2358927 -0.0233109 0.2445171 ] [ 0.0209353 0.1465039 0.0484944 ] [ 0.0941095 0.2603174 -0.2432377 ] [ 0.0047639 -0.3833984 0.0491308 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 4.619096987368443e-18 "source-value" 28.830136 } }