{ "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" [ [ 1.173582 1.448006 2.849718 ] [ 1.983285 3.621531 1.348175 ] [ 2.327062 3.623818 3.682153 ] [ 3.341801 1.495458 1.660386 ] [ 3.963915 2.011825 3.715692 ] [ 4.47485 3.510245 1.32465 ] [ 4.551743 4.234559 4.054178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.173582e-10 1.448006e-10 2.849718e-10 ] [ 1.983285e-10 3.621531e-10 1.348175e-10 ] [ 2.327062e-10 3.623818e-10 3.682153e-10 ] [ 3.341801e-10 1.495458e-10 1.660386e-10 ] [ 3.963915e-10 2.011825e-10 3.715692e-10 ] [ 4.47485e-10 3.510245e-10 1.32465e-10 ] [ 4.551743e-10 4.234559e-10 4.054178000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.757777 0.2440926 0.0521782 ] [ -0.4459207 0.9105352 -1.6760464 ] [ -9.9005156 5.1458388 4.270573 ] [ -0.9758798 -6.3200023 -7.2618793 ] [ 5.6372045 -6.8407824 6.6237012 ] [ 2.4280356 3.1338173 -1.0713579 ] [ 4.014853 3.7265008 -0.9371689 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.214092603182618e-09 3.910794602523083e-10 8.359869284417878e-11 ] [ -7.144437261569238e-10 1.458838221874517e-09 -2.685322379579817e-09 ] [ -1.586237475887249e-08 8.244542687690598e-09 6.842212274391281e-09 ] [ -1.563531813152593e-09 -1.012576001188626e-08 -1.163481333338827e-08 ] [ 9.031797330979652e-09 -1.096014171955844e-08 1.061233929323776e-08 ] [ 3.89014190484017e-09 5.020928853284968e-09 -1.716504594031308e-09 ] [ 6.432503665544801e-09 5.970512508342307e-09 -1.501510113691482e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.786898 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.529339909894133e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5905801 1.7194281 3.1692949 ] [ 1.9195806 3.518477 1.2542701 ] [ 1.9445419 4.1716339 3.7029812 ] [ 3.5209113 1.4133851 1.3825936 ] [ 4.012082 1.4536622 3.8686651 ] [ 4.4368688 3.7764889 1.3961005 ] [ 4.3916732 3.8923669 3.8610466 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5905801e-10 1.7194281e-10 3.1692949e-10 ] [ 1.9195806e-10 3.518477e-10 1.2542701e-10 ] [ 1.9445419e-10 4.1716339e-10 3.7029812e-10 ] [ 3.5209113e-10 1.4133851e-10 1.3825936e-10 ] [ 4.012082e-10 1.4536622e-10 3.8686651e-10 ] [ 4.4368688e-10 3.7764889e-10 1.3961005e-10 ] [ 4.3916732e-10 3.8923669e-10 3.8610466e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.27e-05 -9.5e-06 -2.4e-06 ] [ -2.9e-06 5e-07 -8.8e-06 ] [ 3.1e-06 2.2e-06 4.3e-06 ] [ -4.8e-06 -1.58e-05 -1.04e-05 ] [ 4.5e-06 9.3e-06 2.3e-06 ] [ 5e-07 6.3e-06 9.9e-06 ] [ 1.24e-05 7.1e-06 5.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.03476432518e-14 -1.5220678023e-14 -3.845223921599999e-15 ] [ -4.6463122386e-15 8.010883169999999e-16 -1.40991543792e-14 ] [ 4.9667475654e-15 3.5247885948e-15 6.8893595262e-15 ] [ -7.690447843199998e-15 -2.53143908172e-14 -1.66626369936e-14 ] [ 7.209794853e-15 1.49002426962e-14 3.685006258199999e-15 ] [ 8.010883169999999e-16 1.00937127942e-14 1.58615486766e-14 ] [ 1.98669902616e-14 1.13754541014e-14 8.331318496799998e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.881227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505759062264992e-18 } }