{ "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" [ 5.4419 0 0 ] "si-unit" "m" "si-value" [ 5.441900000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.361794 5.44502 0 ] "si-unit" "m" "si-value" [ 3.61794e-11 5.44502e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0366443 0.298499 5.53333 ] "si-unit" "m" "si-value" [ 3.66443e-12 2.98499e-11 5.53333e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.128377 -0.150066 -0.170326 ] [ 1.39649 1.37402 1.31098 ] [ -0.0542726 2.97617 3.14736 ] [ 1.41657 4.24499 4.02908 ] [ 2.7363 -0.234712 2.6251 ] [ 4.24505 1.08558 3.99518 ] [ 2.94651 2.56191 -0.00354123 ] [ 4.33312 3.8007 1.43779 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.28377e-11 -1.50066e-11 -1.70326e-11 ] [ 1.39649e-10 1.37402e-10 1.31098e-10 ] [ -5.42726e-12 2.97617e-10 3.14736e-10 ] [ 1.41657e-10 4.24499e-10 4.02908e-10 ] [ 2.7363e-10 -2.34712e-11 2.6251e-10 ] [ 4.24505e-10 1.08558e-10 3.99518e-10 ] [ 2.94651e-10 2.56191e-10 -3.54123e-13 ] [ 4.33312e-10 3.8007e-10 1.43779e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.0746841999999996 0.5161048999999999 5.431817999999999 ] [ -1.1592480999999997 0.45235539999999996 0.5522932999999999 ] [ 0.7900103999999999 -2.8852601999999994 0.14226359999999996 ] [ 3.4474329999999997 -0.24559749999999997 0.43681319999999996 ] [ -1.7714595999999998 1.8497352999999999 -0.5370787999999999 ] [ -3.3323436999999996 1.7997924999999997 -2.1738709999999997 ] [ -0.46444909999999995 -0.7578221999999999 -0.8847729999999999 ] [ 0.41537289999999993 -0.7293080999999999 -2.9674653999999996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.32401052078315e-09 8.268912046603218e-10 8.702731808040613e-09 ] [ -1.85732020352682e-09 7.247532461726323e-10 8.848714130844804e-10 ] [ 1.265736193068856e-09 -4.622696437364731e-09 2.279314139108428e-10 ] [ 5.523396554374406e-09 -3.934905726269279e-10 6.998518966968344e-10 ] [ -2.838191155811719e-09 2.963602652328474e-09 -8.604950968873189e-10 ] [ -5.339003168610168e-09 2.883585465791183e-09 -3.482925292835116e-09 ] [ -7.441294895716012e-10 -1.214165011563222e-09 -1.417562615315078e-09 ] [ 6.655007492938961e-10 -1.168480387180068e-09 -4.754403686912919e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 149.56667 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.396322219249087e-17 } }