{ "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" [ [ -4.093638 -4.351926 -16.2402509 ] [ -8.392029 -8.9446303 11.7384107 ] [ -7.4815608 8.4593171 -0.9248513 ] [ 8.8599036 -5.9024125 -0.7561846 ] [ 11.1073242 10.7396518 6.1828762 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.558731097618471e-09 -6.972554092651661e-09 -2.601975030790616e-08 ] [ -1.34455126648756e-08 -1.433087754835929e-08 1.880700718888856e-08 ] [ -1.198678180085374e-08 1.355332008555366e-08 -1.481775130576487e-09 ] [ 1.419513041046176e-08 -9.45670731381768e-09 -1.211541287128999e-09 ] [ 1.779589515288606e-08 1.720681902949264e-08 9.906059696940746e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 6.4307765 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.030323976189005e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9974566 2.8155618 0.5927396 ] [ 2.3540099 2.1408257 3.8187218 ] [ 2.0761291 4.2927355 2.4656584 ] [ 4.5326789 2.0377698 2.4839955 ] [ 4.5617436 4.5393693 3.0130207 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9974566e-10 2.8155618e-10 5.927396e-11 ] [ 2.3540099e-10 2.1408257e-10 3.8187218e-10 ] [ 2.0761291e-10 4.2927355e-10 2.4656584e-10 ] [ 4.5326789e-10 2.0377698e-10 2.4839955e-10 ] [ 4.5617436e-10 4.5393693e-10 3.013020700000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.8e-06 1.8e-06 5e-06 ] [ -0.0 3e-07 -3e-07 ] [ 4.3e-06 -3.8e-06 6e-07 ] [ -5.3e-06 4.3e-06 -1.6e-06 ] [ -2.8e-06 -2.7e-06 -3.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.08827115904e-15 2.88391791744e-15 8.010883104e-15 ] [ 0.0 4.8065298624e-16 -4.8065298624e-16 ] [ 6.889359469440001e-15 -6.08827115904e-15 9.6130597248e-16 ] [ -8.491536090240001e-15 6.889359469440001e-15 -2.56348259328e-15 ] [ -4.48609453824e-15 -4.32587687616e-15 -6.08827115904e-15 ] ] } "relaxed-potential-energy" { "source-value" -6.4498528 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.033380336376142e-18 } }