{ "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" [ [ -0.6249084 0.9734263 -1.9800098 ] [ 0.5552087 0.6559093 1.4137021 ] [ -0.4055529 0.597791 0.6598657 ] [ -0.069264 -0.2421353 -1.408459 ] [ -1.0990873 0.4336407 1.7528521 ] [ 0.6538083 0.641377 0.4207892 ] [ 1.164754 0.3726589 -0.4982658 ] [ -0.1749584 -3.4326679 -0.3604746 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.001213636870326e-09 1.559600872781074e-09 -3.172325436651013e-09 ] [ 8.895424061335158e-10 1.050882554483296e-09 2.265000472056731e-09 ] [ -6.497673802309385e-10 9.577667722154939e-10 1.057221406118054e-09 ] [ -1.10973162377376e-10 -3.879435199265802e-10 -2.256600099747006e-09 ] [ -1.760931990786148e-09 6.947689970914037e-10 2.808378677477831e-09 ] [ 1.047516381375262e-09 1.027599242985018e-09 6.741786240795526e-10 ] [ 1.866141643158036e-09 5.970653820321426e-10 -7.983098222813171e-10 ] [ -2.803142604020255e-10 -5.499740301661848e-09 -5.775439812704964e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -32.255114 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.167838997780627e-18 } }