{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.9865114 1.002248 2.003773 ] [ 2.302262 0.4465448 0.4828732 ] [ 2.913212 0.9916658 2.458282 ] [ 2.765138 2.782808 0.4747325 ] [ 1.558206 2.989621 2.793764 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.865114e-11 1.002248e-10 2.003773e-10 ] [ 2.302262e-10 4.465448e-11 4.828732e-11 ] [ 2.913212e-10 9.916658000000001e-11 2.458282e-10 ] [ 2.765138e-10 2.782808e-10 4.747325e-11 ] [ 1.558206e-10 2.989621e-10 2.793764e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.2009341 -0.2438006 5.1156031 ] [ 2.3076809 -3.3559445 -12.4704771 ] [ 10.9053269 -9.5657945 11.3393435 ] [ 1.0864981 4.7420759 -6.1344717 ] [ -5.0985718 8.4234637 2.1500021 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.474152162599382e-08 -3.906116246751804e-10 8.196099755637964e-09 ] [ 3.69731241670809e-09 -5.376815862900813e-09 -1.997990702445208e-08 ] [ 1.747225994531165e-08 -1.532609243354571e-08 1.816763120059977e-08 ] [ 1.740761868705395e-09 7.597643203634519e-09 -9.828507219674258e-09 ] [ -8.168812604731321e-09 1.349587671748718e-08 3.444683127670931e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -1.2628261 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.023270470225347e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.6951029 0.9611259 2.3052914 ] [ 2.3232308 0.6503702 0.5165568 ] [ 3.5444508 0.1016592 2.6806423 ] [ 2.8070893 3.0718814 0.3882406 ] [ 1.1554556 3.4278509 2.3226936 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.951029e-11 9.611259e-11 2.3052914e-10 ] [ 2.3232308e-10 6.503702e-11 5.165568000000001e-11 ] [ 3.5444508e-10 1.016592e-11 2.6806423e-10 ] [ 2.8070893e-10 3.0718814e-10 3.882406e-11 ] [ 1.1554556e-10 3.4278509e-10 2.3226936e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.9e-06 -6.7e-06 -2.6e-06 ] [ -5e-07 -6.3e-06 -1.1e-06 ] [ -1.2e-06 4.8e-06 1.8e-06 ] [ 5e-07 4.6e-06 -2.9e-06 ] [ 5.1e-06 3.6e-06 4.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.248488872599999e-15 -1.07345834478e-14 -4.165659248399999e-15 ] [ -8.010883169999999e-16 -1.00937127942e-14 -1.7623942974e-15 ] [ -1.9226119608e-15 7.690447843199998e-15 2.8839179412e-15 ] [ 8.010883169999999e-16 7.370012516399999e-15 -4.6463122386e-15 ] [ 8.1711008334e-15 5.767835882399999e-15 7.690447843199998e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.382973 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.823753336605288e-18 } }