{ "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" [ [ 0.5419945 1.059703 1.497036 ] [ 0.5287309 2.297187 0.1799033 ] [ 1.173246 2.181689 2.79912 ] [ 2.288869 1.000101 0.1162968 ] [ 2.25753 0.9328521 1.885741 ] [ 2.965412 2.910996 0.3877363 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.419945000000001e-11 1.059703e-10 1.497036e-10 ] [ 5.287309e-11 2.297187e-10 1.799033e-11 ] [ 1.173246e-10 2.181689e-10 2.79912e-10 ] [ 2.288869e-10 1.000101e-10 1.162968e-11 ] [ 2.25753e-10 9.328521e-11 1.885741e-10 ] [ 2.965412e-10 2.910996e-10 3.877363e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -42.0467092 -27.5046474 2.1090881 ] [ -7.2695152 19.5087362 -17.7474745 ] [ -4.4724312 23.826233 27.6872689 ] [ 10.6237087 -11.9727777 -33.7229921 ] [ 35.3991706 -15.1451698 24.157249 ] [ 7.7657762 11.2876257 -2.4831393 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.736625446181628e-08 -4.40673030276275e-08 3.379131645027492e-09 ] [ -1.164704729799024e-08 3.125644104099464e-08 -2.843458872214417e-08 ] [ -7.165624706776489e-09 3.817383347433345e-08 4.435989492538293e-08 ] [ 1.702105770532956e-08 -1.91825045169756e-08 -5.403018952604309e-08 ] [ 5.671572353103071e-08 -2.426523697160621e-08 3.870417957064418e-08 ] [ 1.244214507000507e-08 1.808477000088123e-08 -3.978427732649677e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 20.636235 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.306289325833469e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.0195282 0.7889101 1.7295645 ] [ 0.5560706 2.4364759 -0.1297972 ] [ 1.0941244 2.5484923 3.2223998 ] [ 2.4784472 0.7517657 -0.5696556 ] [ 2.6250758 0.8400238 2.0246581 ] [ 2.9825363 3.0168601 0.5886638 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.95282e-12 7.889101e-11 1.7295645e-10 ] [ 5.560706e-11 2.4364759e-10 -1.297972e-11 ] [ 1.0941244e-10 2.5484923e-10 3.2223998e-10 ] [ 2.4784472e-10 7.517657e-11 -5.696556000000001e-11 ] [ 2.6250758e-10 8.400238e-11 2.0246581e-10 ] [ 2.9825363e-10 3.0168601e-10 5.886638e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.17e-05 -1.16e-05 -2.47e-05 ] [ -2.58e-05 1.35e-05 1.35e-05 ] [ -6.5e-06 2.03e-05 3.8e-06 ] [ -3.3e-06 -1.04e-05 -2.29e-05 ] [ 8e-07 -2.06e-05 3.87e-05 ] [ 1.32e-05 8.8e-06 -8.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.476723267136e-14 -1.858524880128e-14 -3.957376253376001e-14 ] [ -4.133615681664e-14 2.16293843808e-14 2.16293843808e-14 ] [ -1.04141480352e-14 3.252418540224e-14 6.08827115904e-15 ] [ -5.28718284864e-15 -1.666263685632e-14 -3.668984461632e-14 ] [ 1.28174129664e-15 -3.300483838848e-14 6.200423522496e-14 ] [ 2.114873139456e-14 1.409915426304e-14 -1.345828361472e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.473573 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.158704365924212e-18 } }