{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.91343 2.805447 1.311156 ] [ 2.653002 2.505168 3.277079 ] [ 1.829519 4.618852 2.376516 ] [ 4.982305 1.900488 2.423676 ] [ 4.143762 3.996307 2.985709 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.91343e-10 2.805447e-10 1.311156e-10 ] [ 2.653002e-10 2.505168e-10 3.277079e-10 ] [ 1.829519e-10 4.618852000000001e-10 2.376516e-10 ] [ 4.982305e-10 1.900488e-10 2.423676e-10 ] [ 4.143762e-10 3.996307e-10 2.985709e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8247114 -0.0429309 -4.6754223 ] [ -1.9702494 -2.6501674 4.4928332 ] [ 0.6317332 -0.361358 0.2256042 ] [ -1.288317 0.2496096 -0.1769119 ] [ 1.8021218 2.8048467 0.1338968 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.321333323987237e-09 -6.878288428990273e-11 -7.490852301426964e-09 ] [ -3.156687525825227e-09 -4.246036249486322e-09 7.198312314194051e-09 ] [ 1.012148163623171e-09 -5.789593393390464e-10 3.614577747942873e-10 ] [ -2.064111377579194e-09 3.999186654472397e-10 -2.834441101213075e-10 ] [ 2.887317415794014e-09 4.493859807668032e-09 2.145263225599335e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -19.547471 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.1318501031966e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.0754488 2.9038202 1.0769496 ] [ 2.6083487 2.3967459 3.4746945 ] [ 1.9195272 4.4114497 2.4685888 ] [ 4.6892802 1.9190553 2.4810655 ] [ 4.2294131 4.1951908 2.8728376 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0754488e-10 2.9038202e-10 1.0769496e-10 ] [ 2.6083487e-10 2.3967459e-10 3.4746945e-10 ] [ 1.9195272e-10 4.411449700000001e-10 2.4685888e-10 ] [ 4.6892802e-10 1.9190553e-10 2.4810655e-10 ] [ 4.2294131e-10 4.1951908e-10 2.8728376e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.1e-06 4.1e-06 2.4e-06 ] [ 7.9e-06 -3.5e-06 -3.6e-06 ] [ -1.5e-06 2.1e-06 -4.1e-06 ] [ -8e-07 -4.8e-06 4.8e-06 ] [ -5e-07 2.1e-06 6e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.17110076608e-15 6.568924145279999e-15 3.84522388992e-15 ] [ 1.265719530432e-14 -5.6076181728e-15 -5.76783583488e-15 ] [ -2.4032649312e-15 3.36457090368e-15 -6.568924145279999e-15 ] [ -1.28174129664e-15 -7.69044777984e-15 7.69044777984e-15 ] [ -8.010883104e-16 3.36457090368e-15 9.6130597248e-16 ] ] } "relaxed-potential-energy" { "source-value" -21.115797 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.383123628295878e-18 } }