{ "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" [ 5.44141 0 0 ] "si-unit" "m" "si-value" [ 5.441410000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0387259 5.36248 0 ] "si-unit" "m" "si-value" [ 3.87259e-12 5.36248e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.184794 -0.00314768 5.51994 ] "si-unit" "m" "si-value" [ -1.84794e-11 -3.14768e-13 5.51994e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.139299 -0.0133288 0.0135909 ] [ 1.42253 1.35934 1.29237 ] [ 0.0199653 2.64656 2.62294 ] [ 1.43068 4.14401 3.95964 ] [ 2.73386 -0.0804287 2.7169 ] [ 4.04879 1.39288 4.20461 ] [ 2.82765 2.77065 0.103593 ] [ 4.1636 4.04392 1.34337 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.39299e-11 -1.33288e-12 1.35909e-12 ] [ 1.42253e-10 1.35934e-10 1.29237e-10 ] [ 1.99653e-12 2.64656e-10 2.62294e-10 ] [ 1.43068e-10 4.14401e-10 3.95964e-10 ] [ 2.73386e-10 -8.042870000000001e-12 2.7169e-10 ] [ 4.04879e-10 1.39288e-10 4.20461e-10 ] [ 2.827650000000001e-10 2.77065e-10 1.03593e-11 ] [ 4.1636e-10 4.04392e-10 1.34337e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.1739532 0.1696401 -0.9078114999999999 ] [ -0.5136419 -0.9910138 0.09441849999999999 ] [ 0.5217297 0.2237518 1.4022879999999998 ] [ -2.5527721 -1.7567712 2.4361542999999997 ] [ 1.2683544 2.3394263 -0.7335387999999999 ] [ -0.9973243 0.6788167 -1.3734791999999998 ] [ -0.6590869 -0.3617578 -2.1193028999999997 ] [ -0.241212 -0.3020922 1.2012715999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.085233612553346e-09 2.71793402170174e-10 -1.454474361393379e-09 ] [ -8.229450436432915e-10 -1.587779141250167e-09 1.512751132710048e-10 ] [ 8.359031277169977e-10 3.584899028219175e-10 2.24671304922839e-09 ] [ -4.08999177685052e-09 -2.814657744734761e-09 3.903149464121389e-09 ] [ 2.032127766568812e-09 3.748174123944647e-09 -1.175258715809687e-09 ] [ -1.597889676815725e-09 1.087584246548607e-09 -2.200556263395087e-09 ] [ -1.055973622255548e-09 -5.795998895520423e-10 -3.39549755877364e-09 ] [ -3.864642270564097e-10 -4.840050601660378e-10 1.924649272751009e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.910326038775917 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.709332902943225e-18 } }