{ "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" [ [ 0.1860509 3.95381 2.613527 ] [ 1.567846 3.644648 0.7971861 ] [ 2.293743 3.741388 3.176886 ] [ 3.786148 2.787453 1.709706 ] [ 5.865671 2.396852 2.649651 ] [ 3.786965 2.496542 4.574471 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.860509e-11 3.95381e-10 2.613527e-10 ] [ 1.567846e-10 3.644648e-10 7.971861000000001e-11 ] [ 2.293743e-10 3.741388e-10 3.176886e-10 ] [ 3.786148e-10 2.787453e-10 1.709706e-10 ] [ 5.865671e-10 2.396852e-10 2.649651e-10 ] [ 3.786965e-10 2.496542e-10 4.574471e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.2826855 0.1408607 0.5349296 ] [ -0.8894757 -0.0794939 -4.853761 ] [ 2.6100221 1.2692825 5.0803215 ] [ 1.4452433 -0.9510217 -2.0759199 ] [ -0.8438039 0.0837208 1.1414024 ] [ 0.9606996 -0.4633483 0.1730274 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.259441961539158e-09 2.256837203295226e-10 8.570516988938957e-10 ] [ -1.425097171309715e-09 -1.273632680762131e-10 -7.77658239715083e-09 ] [ 4.18171638839132e-09 2.033614746690576e-09 8.139572333447587e-09 ] [ 2.31553502662784e-09 -1.523704733613471e-09 -3.325990330433474e-09 ] [ -1.351922881119861e-09 1.341355084346726e-10 1.82872824020501e-09 ] [ 1.539210438731912e-09 -7.423658135474246e-10 2.772204550378099e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -7.6688533 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.228685746560493e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7052933 3.4947471 2.6500795 ] [ 1.7655582 3.0504826 0.6750015 ] [ 2.6637765 4.2270256 3.577846 ] [ 3.7570252 3.7689412 1.5413238 ] [ 4.8275242 2.0176208 2.5510505 ] [ 3.7672465 2.4618757 4.5261259 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.052933e-11 3.4947471e-10 2.6500795e-10 ] [ 1.7655582e-10 3.0504826e-10 6.750015000000001e-11 ] [ 2.6637765e-10 4.2270256e-10 3.577846e-10 ] [ 3.7570252e-10 3.7689412e-10 1.5413238e-10 ] [ 4.8275242e-10 2.0176208e-10 2.5510505e-10 ] [ 3.767246500000001e-10 2.4618757e-10 4.526125900000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.5e-06 6.6e-06 -4.5e-06 ] [ -6.1e-06 -4.2e-06 -1.24e-05 ] [ 5e-07 -7.5e-06 -4.8e-06 ] [ -6.6e-06 6.8e-06 1.01e-05 ] [ -1.16e-05 1.8e-06 1.28e-05 ] [ 1.93e-05 -3.5e-06 -1.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.2097947936e-15 1.057436569728e-14 -7.2097947936e-15 ] [ -9.77327738688e-15 -6.72914180736e-15 -1.986699009792e-14 ] [ 8.010883104e-16 -1.2016324656e-14 -7.69044777984e-15 ] [ -1.057436569728e-14 1.089480102144e-14 1.618198387008e-14 ] [ -1.858524880128e-14 2.88391791744e-15 2.050786074624e-14 ] [ 3.092200878144e-14 -5.6076181728e-15 -1.76239428288e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.423131 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.830187342453573e-18 } }