{ "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" [ [ 2.272226 1.517825 2.823083 ] [ 2.079314 3.025232 4.309487 ] [ 1.624731 3.89644 2.167347 ] [ 4.204366 1.580563 1.938725 ] [ 4.130904 2.338344 4.256427 ] [ 3.588528 3.628489 1.149971 ] [ 3.881136 4.134812 3.114475 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.272226e-10 1.517825e-10 2.823083e-10 ] [ 2.079314e-10 3.025232e-10 4.309487e-10 ] [ 1.624731e-10 3.89644e-10 2.167347e-10 ] [ 4.204366000000001e-10 1.580563e-10 1.938725e-10 ] [ 4.130904e-10 2.338344e-10 4.256427000000001e-10 ] [ 3.588528e-10 3.628489e-10 1.149971e-10 ] [ 3.881136e-10 4.134812e-10 3.114475e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.8843111 -8.4161461 -1.0896109 ] [ -6.3041424 1.6463033 8.4279168 ] [ -8.1765863 4.7810099 -3.3626129 ] [ 6.0544356 -6.6081284 -4.6979738 ] [ 6.5441743 -3.3341901 7.6689267 ] [ 2.5257377 3.330229 -9.4542004 ] [ 5.2406922 8.6009224 2.5075545 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.427705673933931e-09 -1.34841525186571e-08 -1.745749109748847e-09 ] [ -1.0100349567474e-08 2.637668658005889e-09 1.350301125900755e-08 ] [ -1.310033540781358e-08 7.660022285593345e-09 -5.387499773180488e-09 ] [ 9.70027517045922e-09 -1.058738882972451e-08 -7.526983787490935e-09 ] [ 1.048492306590021e-08 -5.341961427522814e-09 1.22869750653689e-08 ] [ 4.046677893213165e-09 5.335615045710164e-09 -1.514729884923801e-08 ] [ 8.396514519648918e-09 1.378019678659503e-08 4.017545195281834e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 63.27205 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.013729992600886e-17 } "relaxed-configuration-positions" { "source-value" [ [ -0.0121702 -1.3595535 2.447014 ] [ -0.148679 3.7794328 7.7902411 ] [ -1.6829876 5.7543935 0.8788068 ] [ 6.9889031 -1.2083004 0.1808609 ] [ 6.534705 0.7698357 7.2450791 ] [ 4.6008852 5.0395627 -2.8661173 ] [ 5.5005486 7.3463342 4.0836304 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.21702e-12 -1.3595535e-10 2.447014e-10 ] [ -1.48679e-11 3.7794328e-10 7.790241100000001e-10 ] [ -1.6829876e-10 5.7543935e-10 8.788068e-11 ] [ 6.9889031e-10 -1.2083004e-10 1.808609e-11 ] [ 6.534705e-10 7.698357000000001e-11 7.2450791e-10 ] [ 4.6008852e-10 5.0395627e-10 -2.8661173e-10 ] [ 5.5005486e-10 7.3463342e-10 4.0836304e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 0.0 0.0 ] [ -0.0 0.0 0.0 ] [ -0.0 0.0 -0.0 ] [ 0.0 -0.0 -0.0 ] [ 0.0 -0.0 0.0 ] [ 0.0 0.0 -0.0 ] [ 0.0 0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" 4.4408921e-15 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.115093498115416e-34 } }