{ "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" [ 5.46879 0 0 ] "si-unit" "m" "si-value" [ 5.468790000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.164352 5.45396 0 ] "si-unit" "m" "si-value" [ -1.64352e-11 5.453960000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.164037 0.0480481 5.25114 ] "si-unit" "m" "si-value" [ -1.64037e-11 4.804810000000001e-12 5.251140000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.110213 -0.12035 -0.0596546 ] [ 1.31419 1.39201 1.41434 ] [ -0.168287 2.6382 2.797 ] [ 1.3034 4.08885 4.02601 ] [ 2.55869 -0.0573607 2.7167 ] [ 3.95328 1.36182 4.12861 ] [ 2.72846 2.73806 0.151815 ] [ 4.07331 4.0714 1.3741 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.10213e-11 -1.2035e-11 -5.96546e-12 ] [ 1.31419e-10 1.39201e-10 1.41434e-10 ] [ -1.68287e-11 2.6382e-10 2.797e-10 ] [ 1.3034e-10 4.08885e-10 4.02601e-10 ] [ 2.55869e-10 -5.736070000000001e-12 2.7167e-10 ] [ 3.95328e-10 1.36182e-10 4.12861e-10 ] [ 2.72846e-10 2.73806e-10 1.51815e-11 ] [ 4.07331e-10 4.0714e-10 1.3741e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.886836400000001 0.12616760000000002 1.4584087000000001 ] [ -1.1632843000000002 -0.8180274000000002 -0.5120266000000001 ] [ 1.0516911000000002 0.9052142000000002 -0.6972137000000002 ] [ -3.352705700000001 -1.1877923000000001 1.1812982000000003 ] [ 3.251270200000001 1.5325823000000005 -1.4487701000000002 ] [ -2.1224498000000005 0.6473120000000001 -1.7351066000000004 ] [ -0.050504300000000016 -1.1551299000000002 -0.4205087000000001 ] [ -1.5008535000000005 -0.050326500000000024 2.1739188000000005 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.227398460260679e-09 2.021427806878584e-10 2.336628341962316e-09 ] [ -1.863786924159046e-09 -1.310624386251772e-09 -8.203570545064645e-10 ] [ 1.684994906605757e-09 1.450313040005003e-09 -1.117059499044686e-09 ] [ -5.371626733218615e-09 -1.903053069105118e-09 1.892648373826259e-09 ] [ 5.209109145260507e-09 2.455467550741979e-09 -2.321185602257843e-09 ] [ -3.400539476397974e-09 1.037108161307808e-09 -2.779947252019185e-09 ] [ -8.091680937652622e-11 -1.850722135014757e-09 -6.737292135337159e-10 ] [ -2.404632408757119e-09 -8.063194237100103e-11 3.48300190557332e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.656651 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.712825307889272e-18 } }