{ "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" [ [ 0.7655839 2.475119 1.769415 ] [ 1.428497 2.830976 4.007072 ] [ 0.7084804 4.393179 2.503204 ] [ 3.286235 1.82381 2.638008 ] [ 3.156295 4.152222 2.34568 ] [ 4.226983 3.319682 4.150219 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.655839e-11 2.475119e-10 1.769415e-10 ] [ 1.428497e-10 2.830976e-10 4.007072e-10 ] [ 7.084804e-11 4.393179e-10 2.503204e-10 ] [ 3.286235e-10 1.82381e-10 2.638008e-10 ] [ 3.156295e-10 4.152222e-10 2.34568e-10 ] [ 4.226983e-10 3.319682e-10 4.150219e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.1353951 -2.96263 -2.9294072 ] [ 4.6532252 -1.3850985 5.7331226 ] [ -2.1868718 6.8450882 -0.9167866 ] [ -4.2971723 -3.8522623 -2.7629119 ] [ -4.7755554 0.9543202 -3.2911043 ] [ 0.4709793 0.4005823 4.1670873 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.82998658859088e-09 -4.746656522080704e-09 -4.693427728643189e-09 ] [ 7.455288626757404e-09 -2.219172434205149e-09 9.18547499390011e-09 ] [ -3.503754870646813e-09 1.096704028135396e-08 -1.468854056782721e-09 ] [ -6.884828994609363e-09 -6.172004594249236e-09 -4.426672851510107e-09 ] [ -7.651283213215192e-09 1.52898951319718e-09 -5.27293036607435e-09 ] [ 7.545920233407494e-10 6.418035957662918e-10 6.676409848892597e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.828329 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.535977867013065e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0978833 2.4070124 1.6397324 ] [ 1.6340127 2.9233283 4.0845608 ] [ 0.5087168 4.6974103 2.6316014 ] [ 3.2307503 1.5854361 2.6041308 ] [ 2.9468268 4.0885068 2.1737658 ] [ 4.1538844 3.2932941 4.2798069 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0978833e-10 2.407012400000001e-10 1.6397324e-10 ] [ 1.6340127e-10 2.9233283e-10 4.0845608e-10 ] [ 5.087168e-11 4.6974103e-10 2.6316014e-10 ] [ 3.2307503e-10 1.5854361e-10 2.6041308e-10 ] [ 2.9468268e-10 4.0885068e-10 2.1737658e-10 ] [ 4.1538844e-10 3.2932941e-10 4.2798069e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.98e-05 5.7e-06 -5.07e-05 ] [ -2.75e-05 -1.32e-05 3.94e-05 ] [ -1.54e-05 3.62e-05 3e-07 ] [ 7.96e-05 -8.77e-05 1.13e-05 ] [ 7.4e-06 3.68e-05 -1.82e-05 ] [ 2.56e-05 2.21e-05 1.79e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.1183192813184e-13 9.13240673856e-15 -8.123035467456e-14 ] [ -4.4059857072e-14 -2.114873139456e-14 6.312575885952001e-14 ] [ -2.467351996032e-14 5.799879367296e-14 4.8065298624e-16 ] [ 1.2753325901568e-13 -1.4051088964416e-13 1.810459581504e-14 ] [ 1.185610699392e-14 5.896009964544001e-14 -2.915961449856e-14 ] [ 4.101572149248001e-14 3.540810331968e-14 2.867896151232001e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.607709 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.301718956804975e-18 } }