{ "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" [ [ 0.6618616 0.5532969 2.6678 ] [ 1.355444 2.726321 1.335983 ] [ 0.8455628 2.30582 2.977156 ] [ 2.930365 0.9373095 0.4139469 ] [ 2.829062 1.427351 2.413715 ] [ 2.781652 2.87748 1.992398 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.618616000000001e-11 5.532969e-11 2.6678e-10 ] [ 1.355444e-10 2.726321e-10 1.335983e-10 ] [ 8.455628e-11 2.30582e-10 2.977156e-10 ] [ 2.930365e-10 9.373095e-11 4.139469e-11 ] [ 2.829062e-10 1.427351e-10 2.413715e-10 ] [ 2.781652e-10 2.87748e-10 1.992398e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.4582436 -22.1234238 -2.1516605 ] [ -38.9105136 6.1155565 -45.8073007 ] [ -15.1334996 15.7256396 30.385784 ] [ 1.0965871 -2.4746006 -5.8304429 ] [ 12.5562954 -59.0986811 20.9157916 ] [ 44.8493742 61.8555093 2.4878285 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.142893724600042e-09 -3.544563267643949e-08 -3.447340177400757e-09 ] [ -6.234151570685922e-08 9.79820172820682e-09 -7.339138684815183e-08 ] [ -2.424653944976834e-08 2.51952523218251e-08 4.868339313057105e-08 ] [ 1.756926228765821e-09 -3.96474725980238e-09 -9.341399380251198e-09 ] [ 2.011740309948168e-08 -9.46865259586374e-08 3.351079258313347e-08 ] [ 7.185661939276244e-08 9.910345168462968e-08 3.985940692099269e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 33.682774 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.396575347110272e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.767485 0.4645642 2.6285502 ] [ 1.0616524 4.2036457 2.4669344 ] [ -0.2600223 2.4562293 3.2381633 ] [ 4.2115152 -0.5455648 0.602145 ] [ 2.7247121 0.9665425 1.4802152 ] [ 2.8986049 3.2821615 1.3849908 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.67485e-11 4.645642e-11 2.6285502e-10 ] [ 1.0616524e-10 4.2036457e-10 2.4669344e-10 ] [ -2.600223e-11 2.4562293e-10 3.2381633e-10 ] [ 4.2115152e-10 -5.455648e-11 6.02145e-11 ] [ 2.7247121e-10 9.665425e-11 1.4802152e-10 ] [ 2.8986049e-10 3.2821615e-10 1.3849908e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.64e-05 -1.87e-05 -7.6e-06 ] [ -2.9e-06 -6.3e-06 1.2e-06 ] [ -3.4e-06 5e-06 1.4e-06 ] [ 1.91e-05 -2.8e-06 -1.04e-05 ] [ -6.18e-05 4.71e-05 3.24e-05 ] [ 3.25e-05 -2.43e-05 -1.71e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.62756967976e-14 -2.99607030558e-14 -1.21765424184e-14 ] [ -4.6463122386e-15 -1.00937127942e-14 1.9226119608e-15 ] [ -5.4474005556e-15 8.010883169999999e-15 2.2430472876e-15 ] [ 3.06015737094e-14 -4.486094575199999e-15 -1.66626369936e-14 ] [ -9.901451598119999e-14 7.546251946139999e-14 5.19105229416e-14 ] [ 5.207074060499999e-14 -3.893289220619999e-14 -2.73972204414e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.100622 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.419386372726635e-18 } }