{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.8442817 0.9206702 0.8357587 ] [ 0.3795063 0.7207018 2.571138 ] [ 0.5352031 2.484454 2.60301 ] [ 2.861465 0.7370648 0.0976718 ] [ 2.459453 1.267265 1.961226 ] [ 1.563309 2.840378 0.3371872 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.442817e-11 9.206702e-11 8.357587e-11 ] [ 3.795063e-11 7.207018e-11 2.571138e-10 ] [ 5.352031e-11 2.484454e-10 2.60301e-10 ] [ 2.861465e-10 7.370648e-11 9.767180000000001e-12 ] [ 2.459453e-10 1.267265e-10 1.961226e-10 ] [ 1.563309e-10 2.840378e-10 3.371872000000001e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.9530224 -17.9971938 -38.7901541 ] [ -16.556108 -23.7223945 20.9134735 ] [ -12.2986589 40.682802 21.2050833 ] [ 8.1430198 -4.7446785 -10.9359747 ] [ 31.4661506 -5.4971333 14.7281315 ] [ -2.801381 11.2785981 -7.1205595 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.274214655397871e-08 -2.883468314636672e-08 -6.214867801624927e-08 ] [ -2.652580916903984e-08 -3.800746585729451e-08 3.350707830142035e-08 ] [ -1.970462375677385e-08 6.518103423303549e-08 3.397428870537651e-08 ] [ 1.304655594627149e-08 -7.601812965912414e-09 -1.752136299000029e-08 ] [ 5.041433083789189e-08 -8.807378454681152e-09 2.359706795736804e-08 ] [ -4.488307144153325e-09 1.80703061912193e-08 -1.140839395791534e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 8.0831615 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.295065237745066e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8630561 1.3858119 0.4953407 ] [ 0.2298685 1.3661893 2.6033034 ] [ -0.1519875 2.1004388 4.6424971 ] [ 3.2201851 0.661859 0.0012895 ] [ 2.8178343 1.2964125 2.0654908 ] [ 1.6642616 2.1598222 -1.4019298 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.630561e-11 1.3858119e-10 4.953407000000001e-11 ] [ 2.298685e-11 1.3661893e-10 2.6033034e-10 ] [ -1.519875e-11 2.1004388e-10 4.6424971e-10 ] [ 3.2201851e-10 6.61859e-11 1.2895e-13 ] [ 2.8178343e-10 1.2964125e-10 2.0654908e-10 ] [ 1.6642616e-10 2.1598222e-10 -1.4019298e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0096509 0.0050514 0.0375933 ] [ -0.0043883 0.0370371 0.0529074 ] [ -0.0014975 -0.0375579 -0.0336253 ] [ 0.0006956 -0.001097 -0.0035686 ] [ -0.0006956 0.001097 0.0035686 ] [ 0.0155367 -0.0045306 -0.0568754 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.546244634967872e-11 8.09323498230912e-12 6.023110635872065e-11 ] [ -7.03083166505664e-12 5.933997572223169e-11 8.476699934731392e-11 ] [ -2.399259489648e-12 -6.017438930634433e-11 -5.387366952738624e-11 ] [ 1.11447405742848e-12 -1.7575877530176e-12 -5.71752748898688e-12 ] [ -1.11447405742848e-12 1.7575877530176e-12 5.71752748898688e-12 ] [ 2.489253750438336e-11 -7.25882139819648e-12 -9.112443617864832e-11 ] ] } "relaxed-potential-energy" { "source-value" -11.294246 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.809537689076392e-18 } }