{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.836172 2.264881 3.605889 ] [ 1.711544 3.356754 1.507539 ] [ 2.817956 4.908146 3.003841 ] [ 0.8092812 3.284881 3.852119 ] [ 4.796821 1.314646 2.655969 ] [ 4.297416 3.615744 1.848977 ] [ 4.570903 3.768738 4.135906 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.836172e-10 2.264881e-10 3.605889e-10 ] [ 1.711544e-10 3.356754e-10 1.507539e-10 ] [ 2.817956e-10 4.908146e-10 3.003841e-10 ] [ 8.092812000000001e-11 3.284881e-10 3.852119e-10 ] [ 4.796821e-10 1.314646e-10 2.655969e-10 ] [ 4.297416000000001e-10 3.615744e-10 1.848977e-10 ] [ 4.570903000000001e-10 3.768738e-10 4.135906000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2080216 -3.7382331 1.7526145 ] [ -0.2252927 -0.0822829 -0.1321624 ] [ -2.0314011 3.0923443 1.0294234 ] [ -0.2943123 0.9473467 -0.6127161 ] [ -0.0314435 -0.0586841 -0.6132062 ] [ 1.9556769 -1.0561697 -3.5113745 ] [ 0.8347944 0.8956788 2.0874212 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.332873441414093e-10 -5.989309675920709e-09 2.807997977175082e-09 ] [ -3.609586967769082e-10 -1.318317386716243e-10 -2.11747507428818e-10 ] [ -3.254663349887403e-09 4.954481740924142e-09 1.649318104384447e-09 ] [ -4.715402862738759e-10 1.517816734532031e-09 -9.81679410607755e-10 ] [ -5.03780405761248e-11 -9.402229303268929e-11 -9.82464637369609e-10 ] [ 3.13333980701862e-09 -1.69217040093735e-09 -5.62584213077329e-09 ] [ 1.337488070854764e-09 1.435035633106199e-09 3.344417444402281e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.409797 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.949574634707398e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1715677 2.0445334 4.2884242 ] [ 2.1391431 3.9355188 1.3942182 ] [ 2.2861504 5.1729826 3.439314 ] [ 1.2199222 3.0285808 3.4309717 ] [ 4.3587699 1.0539704 2.5404938 ] [ 4.3578993 3.21507 1.6598374 ] [ 4.3066407 4.0631339 3.8569807 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.171567700000001e-10 2.0445334e-10 4.2884242e-10 ] [ 2.1391431e-10 3.9355188e-10 1.3942182e-10 ] [ 2.2861504e-10 5.172982600000001e-10 3.439314e-10 ] [ 1.2199222e-10 3.0285808e-10 3.4309717e-10 ] [ 4.358769900000001e-10 1.0539704e-10 2.5404938e-10 ] [ 4.3578993e-10 3.21507e-10 1.6598374e-10 ] [ 4.3066407e-10 4.063133900000001e-10 3.8569807e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.7e-06 2.93e-05 -1.65e-05 ] [ -1e-07 2.56e-05 -9.8e-06 ] [ -5.8e-06 -5.09e-05 1.24e-05 ] [ 2.41e-05 2.58e-05 -1.49e-05 ] [ 1.69e-05 -3.76e-05 5.3e-06 ] [ -4.01e-05 -8.4e-06 2.35e-05 ] [ -4.7e-06 1.62e-05 1e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.554111322176e-14 4.694377498944e-14 -2.64359142432e-14 ] [ -1.6021766208e-16 4.101572149248001e-14 -1.570133088384e-14 ] [ -9.292624400640001e-15 -8.155078999872e-14 1.986699009792e-14 ] [ 3.861245656128e-14 4.133615681664e-14 -2.387243164992e-14 ] [ 2.707678489152e-14 -6.024184094208e-14 8.491536090240001e-15 ] [ -6.424728249408e-14 -1.345828361472e-14 3.76511505888e-14 ] [ -7.53023011776e-15 2.595526125696e-14 1.6021766208e-16 ] ] } "relaxed-potential-energy" { "source-value" -22.589215 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.619191215522467e-18 } }