{ "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" [ [ 1.009597 0.3628337 1.078601 ] [ 0.0352367 0.1167127 2.680629 ] [ 0.3335965 1.756245 2.167544 ] [ 2.066416 0.0072977 2.832654 ] [ 2.311694 1.962933 1.086024 ] [ 2.552148 1.611374 2.965257 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.009597e-10 3.628337e-11 1.078601e-10 ] [ 3.52367e-12 1.167127e-11 2.680629e-10 ] [ 3.335965e-11 1.756245e-10 2.167544e-10 ] [ 2.066416e-10 7.2977e-13 2.832654e-10 ] [ 2.311694e-10 1.962933e-10 1.086024e-10 ] [ 2.552148e-10 1.611374e-10 2.965257e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7796208 -20.9032945 -39.6725585 ] [ -33.5796053 -33.8731057 21.2131359 ] [ -11.1872258 42.0657332 3.9995196 ] [ 6.672533 -38.6456253 8.6125611 ] [ 8.9600118 12.0757303 -18.8786258 ] [ 28.3546655 39.2805621 24.7259677 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.249090229140387e-09 -3.349077002152071e-08 -6.356244623969808e-08 ] [ -5.380045899060255e-08 -5.427069847355221e-08 3.398719067284656e-08 ] [ -1.792391177604196e-08 6.739673482511804e-08 6.407936850345026e-09 ] [ 1.069057646219392e-08 -6.191711786197923e-08 1.379884415331734e-08 ] [ 1.435552154632428e-08 1.934745292514581e-08 -3.024689313878955e-08 ] [ 4.542918252898592e-08 6.293439876700596e-08 3.961536770197872e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 26.764792 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.288192435627012e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.1476614 0.1140629 0.7637283 ] [ -0.3702792 -0.1928485 2.8802751 ] [ 0.3034895 2.1850909 2.2838778 ] [ 2.1346934 -0.4968127 3.0749278 ] [ 2.3679751 2.3427561 0.6741645 ] [ 2.7251482 1.8651474 3.1337354 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1476614e-10 1.140629e-11 7.637283000000001e-11 ] [ -3.702792e-11 -1.928485e-11 2.8802751e-10 ] [ 3.034895000000001e-11 2.1850909e-10 2.2838778e-10 ] [ 2.1346934e-10 -4.968127e-11 3.0749278e-10 ] [ 2.3679751e-10 2.3427561e-10 6.741645e-11 ] [ 2.7251482e-10 1.8651474e-10 3.1337354e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.45e-05 1.09e-05 -2.05e-05 ] [ -1.82e-05 -4.8e-06 1.82e-05 ] [ 6.7e-06 4.1e-06 -2.3e-06 ] [ 8e-06 -4.1e-06 3.9e-06 ] [ -6.6e-06 -6.1e-06 -2.8e-06 ] [ -4.4e-06 -0.0 3.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.3231561193e-14 1.74637253106e-14 -3.2844620997e-14 ] [ -2.915961473879999e-14 -7.690447843199998e-15 2.915961473879999e-14 ] [ 1.07345834478e-14 6.568924199399999e-15 -3.685006258199999e-15 ] [ 1.2817413072e-14 -6.568924199399999e-15 6.248488872599999e-15 ] [ -1.05743657844e-14 -9.773277467399999e-15 -4.486094575199999e-15 ] [ -7.0495771896e-15 0.0 5.607618218999999e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.657752 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.188213112736677e-18 } }